 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_wB97XD_def2SVPD.in
 Output=30_ibuprofen_conformer11_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-7123.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      7124.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer11_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.67D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0250258532 Hartrees.
 Nuclear repulsion after empirical dispersion term =      983.9470857417 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.88D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.059091733297    
 DIIS: error= 3.34D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.059091733297     IErMin= 1 ErrMin= 3.34D-03
 ErrMax= 3.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.34D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.362 Goal=   None    Shift=    0.000
 GapD=    0.362 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.18D-03 MaxDP=3.93D-01              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.60D-03    CP:  1.08D+00
 E= -656.071827489676     Delta-E=       -0.012735756379 Rises=F Damp=F
 DIIS: error= 6.91D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.071827489676     IErMin= 2 ErrMin= 6.91D-04
 ErrMax= 6.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.91D-03
 Coeff-Com: -0.199D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.198D-01 0.102D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.53D-03 MaxDP=7.11D-02 DE=-1.27D-02 OVMax= 6.84D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.09D-04    CP:  1.12D+00  1.10D+00
 E= -656.072259500047     Delta-E=       -0.000432010371 Rises=F Damp=F
 DIIS: error= 5.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.072259500047     IErMin= 3 ErrMin= 5.66D-04
 ErrMax= 5.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-04 BMatP= 4.31D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.66D-03
 Coeff-Com: -0.432D-01 0.463D+00 0.580D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.430D-01 0.461D+00 0.582D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=4.86D-03 DE=-4.32D-04 OVMax= 2.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.51D-05    CP:  1.12D+00  1.10D+00  1.03D+00
 E= -656.072467289774     Delta-E=       -0.000207789727 Rises=F Damp=F
 DIIS: error= 1.03D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.072467289774     IErMin= 4 ErrMin= 1.03D-04
 ErrMax= 1.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-06 BMatP= 2.95D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.03D-03
 Coeff-Com: -0.117D-01 0.619D-01 0.154D+00 0.796D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.117D-01 0.619D-01 0.154D+00 0.796D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=4.21D-05 MaxDP=1.83D-03 DE=-2.08D-04 OVMax= 6.86D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.34D-05    CP:  1.12D+00  1.10D+00  1.06D+00  1.17D+00
 E= -656.072475530209     Delta-E=       -0.000008240435 Rises=F Damp=F
 DIIS: error= 5.53D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.072475530209     IErMin= 5 ErrMin= 5.53D-05
 ErrMax= 5.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-06 BMatP= 9.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-02-0.335D-01-0.255D-01 0.312D+00 0.746D+00
 Coeff:      0.102D-02-0.335D-01-0.255D-01 0.312D+00 0.746D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.32D-05 MaxDP=9.99D-04 DE=-8.24D-06 OVMax= 3.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  1.12D+00  1.10D+00  1.08D+00  1.15D+00  9.33D-01
 E= -656.072477457834     Delta-E=       -0.000001927625 Rises=F Damp=F
 DIIS: error= 1.50D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.072477457834     IErMin= 6 ErrMin= 1.50D-05
 ErrMax= 1.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-07 BMatP= 2.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.998D-03-0.176D-01-0.185D-01 0.976D-01 0.328D+00 0.610D+00
 Coeff:      0.998D-03-0.176D-01-0.185D-01 0.976D-01 0.328D+00 0.610D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=4.35D-06 MaxDP=1.86D-04 DE=-1.93D-06 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.32D-06    CP:  1.12D+00  1.10D+00  1.08D+00  1.17D+00  9.43D-01
                    CP:  9.49D-01
 E= -656.072477591995     Delta-E=       -0.000000134161 Rises=F Damp=F
 DIIS: error= 5.64D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.072477591995     IErMin= 7 ErrMin= 5.64D-06
 ErrMax= 5.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-08 BMatP= 1.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.331D-03-0.379D-02-0.522D-02 0.138D-02 0.523D-01 0.295D+00
 Coeff-Com:  0.660D+00
 Coeff:      0.331D-03-0.379D-02-0.522D-02 0.138D-02 0.523D-01 0.295D+00
 Coeff:      0.660D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.23D-06 MaxDP=1.13D-04 DE=-1.34D-07 OVMax= 6.71D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  1.12D+00  1.10D+00  1.08D+00  1.17D+00  9.52D-01
                    CP:  9.81D-01  1.14D+00
 E= -656.072477618347     Delta-E=       -0.000000026352 Rises=F Damp=F
 DIIS: error= 1.81D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.072477618347     IErMin= 8 ErrMin= 1.81D-06
 ErrMax= 1.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-09 BMatP= 2.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.368D-04 0.135D-02 0.118D-02-0.129D-01-0.292D-01-0.175D-01
 Coeff-Com:  0.191D+00 0.866D+00
 Coeff:     -0.368D-04 0.135D-02 0.118D-02-0.129D-01-0.292D-01-0.175D-01
 Coeff:      0.191D+00 0.866D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.84D-07 MaxDP=3.55D-05 DE=-2.64D-08 OVMax= 2.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.24D-07    CP:  1.12D+00  1.10D+00  1.08D+00  1.16D+00  9.55D-01
                    CP:  1.00D+00  1.19D+00  1.14D+00
 E= -656.072477621048     Delta-E=       -0.000000002701 Rises=F Damp=F
 DIIS: error= 3.74D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.072477621048     IErMin= 9 ErrMin= 3.74D-07
 ErrMax= 3.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-10 BMatP= 2.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.471D-04 0.906D-03 0.969D-03-0.553D-02-0.166D-01-0.381D-01
 Coeff-Com:  0.218D-01 0.336D+00 0.701D+00
 Coeff:     -0.471D-04 0.906D-03 0.969D-03-0.553D-02-0.166D-01-0.381D-01
 Coeff:      0.218D-01 0.336D+00 0.701D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.46D-07 MaxDP=9.61D-06 DE=-2.70D-09 OVMax= 5.96D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.77D-07    CP:  1.12D+00  1.10D+00  1.08D+00  1.16D+00  9.57D-01
                    CP:  1.00D+00  1.22D+00  1.13D+00  9.73D-01
 E= -656.072477621346     Delta-E=       -0.000000000298 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.072477621346     IErMin=10 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-11 BMatP= 2.48D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.148D-03 0.173D-03-0.365D-03-0.194D-02-0.113D-01
 Coeff-Com: -0.116D-01 0.355D-02 0.233D+00 0.788D+00
 Coeff:     -0.116D-04 0.148D-03 0.173D-03-0.365D-03-0.194D-02-0.113D-01
 Coeff:     -0.116D-01 0.355D-02 0.233D+00 0.788D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.32D-08 MaxDP=4.61D-06 DE=-2.98D-10 OVMax= 3.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.48D-08    CP:  1.12D+00  1.10D+00  1.08D+00  1.16D+00  9.56D-01
                    CP:  1.00D+00  1.22D+00  1.16D+00  1.01D+00  1.03D+00
 E= -656.072477621460     Delta-E=       -0.000000000113 Rises=F Damp=F
 DIIS: error= 5.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.072477621460     IErMin=11 ErrMin= 5.64D-08
 ErrMax= 5.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.01D-12 BMatP= 2.66D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-05-0.789D-04-0.811D-04 0.694D-03 0.182D-02 0.126D-02
 Coeff-Com: -0.649D-02-0.506D-01-0.181D-01 0.296D+00 0.776D+00
 Coeff:      0.247D-05-0.789D-04-0.811D-04 0.694D-03 0.182D-02 0.126D-02
 Coeff:     -0.649D-02-0.506D-01-0.181D-01 0.296D+00 0.776D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.27D-08 MaxDP=1.42D-06 DE=-1.13D-10 OVMax= 1.18D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.16D-08    CP:  1.12D+00  1.10D+00  1.08D+00  1.16D+00  9.56D-01
                    CP:  9.99D-01  1.22D+00  1.15D+00  1.03D+00  1.07D+00
                    CP:  9.50D-01
 E= -656.072477621456     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.44D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.072477621460     IErMin=12 ErrMin= 1.44D-08
 ErrMax= 1.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-13 BMatP= 4.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-05-0.423D-04-0.451D-04 0.270D-03 0.820D-03 0.155D-02
 Coeff-Com: -0.651D-03-0.171D-01-0.312D-01 0.144D-01 0.262D+00 0.770D+00
 Coeff:      0.202D-05-0.423D-04-0.451D-04 0.270D-03 0.820D-03 0.155D-02
 Coeff:     -0.651D-03-0.171D-01-0.312D-01 0.144D-01 0.262D+00 0.770D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=4.85D-07 DE= 3.18D-12 OVMax= 4.20D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.97D-09    CP:  1.12D+00  1.10D+00  1.08D+00  1.16D+00  9.57D-01
                    CP:  9.98D-01  1.22D+00  1.15D+00  1.03D+00  1.09D+00
                    CP:  1.02D+00  1.08D+00
 E= -656.072477621454     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 5.12D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.072477621460     IErMin=13 ErrMin= 5.12D-09
 ErrMax= 5.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-14 BMatP= 3.94D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.212D-06-0.385D-06-0.318D-06-0.240D-04-0.335D-04 0.174D-03
 Coeff-Com:  0.754D-03 0.267D-02-0.556D-02-0.383D-01-0.430D-01 0.195D+00
 Coeff-Com:  0.888D+00
 Coeff:      0.212D-06-0.385D-06-0.318D-06-0.240D-04-0.335D-04 0.174D-03
 Coeff:      0.754D-03 0.267D-02-0.556D-02-0.383D-01-0.430D-01 0.195D+00
 Coeff:      0.888D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=4.09D-09 MaxDP=1.82D-07 DE= 2.05D-12 OVMax= 1.86D-07

 SCF Done:  E(RwB97XD) =  -656.072477621     A.U. after   13 cycles
            NFock= 13  Conv=0.41D-08     -V/T= 2.0113
 KE= 6.487237017870D+02 PE=-3.490306146305D+03 EE= 1.201562881155D+03
 Leave Link  502 at Wed Sep  8 12:38:22 2021, MaxMem=  6442450944 cpu:            4148.0 elap:             518.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.70385514D+02

 Leave Link  801 at Wed Sep  8 12:38:23 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10031 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 2.22D-01 7.90D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.79D-02 9.86D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 6.00D-03 2.58D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 7.39D-04 7.73D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 8.21D-05 1.27D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.61D-06 3.98D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.19D-07 6.44D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 7.28D-09 1.36D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.58D-10 2.15D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 9.23D-12 3.91D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.74D-13 8.55D-08.
      3 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 3.95D-14 1.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.206868D+03
      2 -0.138739D+01  0.135048D+03
      3 -0.817213D+00 -0.658905D+01  0.153776D+03
 Isotropic polarizability for W=    0.088559      165.23 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.159607D+03  0.534587D+02 -0.300526D+01
      2  -0.864906D+02 -0.302969D+02  0.161513D+02
      3  -0.731160D+02 -0.231618D+02 -0.131461D+02
      4  -0.251453D+02  0.679785D+02 -0.257496D+02
      5  -0.514708D+01 -0.282901D+02  0.948293D+02
      6  -0.112634D+02  0.131541D+02 -0.263960D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.341409D+01 -0.778351D+01  0.218272D+02
      2   0.103680D+02 -0.886001D+01  0.442521D+02
      3  -0.117162D+03 -0.350907D+02  0.121927D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.254050D+01 -0.299723D+01  0.323412D+01
      2   0.214182D+01 -0.144862D+02  0.167945D+03
      3  -0.786041D+02 -0.154469D+03  0.170267D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.103124D+01 -0.753052D+00  0.144125D+02
      2  -0.753052D+00  0.767777D+00 -0.605817D+00
      3   0.144125D+02 -0.605817D+00 -0.188038D+01
 OR G Eigenvalues:   -14.9106     0.6983    14.1309  Iso=     0.0271
 Eigenvectors:
   (1)  -0.670718  -0.003556   0.741704
   (2)   0.051038   0.997397   0.050935
   (3)   0.739954  -0.072018   0.668791
 w=    0.088559 a.u., Optical Rotation Beta=      0.0271 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =        6.67 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.80D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.94D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.63D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.25D-02 5.73D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.15D-03 1.17D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 7.42D-05 1.49D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 1.44D-06 1.61D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 2.37D-08 2.06D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 3.52D-10 2.01D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 6.25D-12 3.31D-07.
     29 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 6.45D-14 3.24D-08.
      4 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 6.76D-15 6.03D-09.
      3 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 1.19D-14 8.47D-09.
      2 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 2.13D-15 4.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   278 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.206868D+03 -0.138739D+01 -0.817213D+00
      2  -0.138739D+01  0.135048D+03 -0.658905D+01
      3  -0.817213D+00 -0.658905D+01  0.153776D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.341409D+01 -0.778351D+01  0.218272D+02
      2   0.103680D+02 -0.886001D+01  0.442521D+02
      3  -0.117162D+03 -0.350907D+02  0.121927D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.159607D+03  0.534587D+02 -0.300526D+01
      2  -0.864906D+02 -0.302969D+02  0.161513D+02
      3  -0.731160D+02 -0.231618D+02 -0.131461D+02
      4  -0.251453D+02  0.679785D+02 -0.257496D+02
      5  -0.514708D+01 -0.282901D+02  0.948293D+02
      6  -0.112634D+02  0.131541D+02 -0.263960D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.892853D+01  0.634023D+00  0.109972D+01 -0.175837D+01  0.169123D+01
      2   0.634023D+00  0.162011D+01 -0.782626D+00  0.169123D+01 -0.338716D+01
      3   0.109972D+01 -0.782626D+00  0.281225D+01  0.172501D+01  0.228548D+01
                 6             7             8             9            10 
      1   0.172501D+01  0.125231D+02  0.135278D+01 -0.704588D+00  0.292613D+02
      2   0.228548D+01  0.135278D+01 -0.112932D+00  0.139920D+01  0.155159D+01
      3   0.890640D+00 -0.704588D+00  0.139920D+01  0.933781D+00 -0.122406D+01
                11            12            13            14            15 
      1   0.155159D+01 -0.122406D+01 -0.103137D+01  0.398074D+01  0.145338D+01
      2   0.172026D+01 -0.633849D+00  0.398074D+01 -0.147568D+01 -0.774318D-01
      3  -0.633849D+00  0.282116D+01  0.145338D+01 -0.774318D-01 -0.694212D+00
                16            17            18            19            20 
      1  -0.220179D+01  0.135299D+01  0.107564D+01  0.122770D+02 -0.656177D+00
      2   0.135299D+01  0.408281D+00 -0.109431D+01 -0.656177D+00 -0.218727D+01
      3   0.107564D+01 -0.109431D+01 -0.477451D+00 -0.128060D+01  0.149751D+01
                21            22            23            24            25 
      1  -0.128060D+01 -0.390753D+01 -0.150263D+01 -0.613472D-01  0.107083D+02
      2   0.149751D+01 -0.150263D+01 -0.257832D+01  0.250544D+01 -0.171777D+01
      3  -0.162029D+01 -0.613472D-01  0.250544D+01  0.190736D+01 -0.400497D-02
                26            27            28            29            30 
      1  -0.171777D+01 -0.400497D-02 -0.272161D+02  0.541944D+00  0.955208D+00
      2   0.110554D+01  0.127903D+01  0.541944D+00 -0.147330D+01  0.263263D+00
      3   0.127903D+01  0.183286D+01  0.955208D+00  0.263263D+00 -0.272576D+01
                31            32            33            34            35 
      1   0.280189D+01 -0.491498D+01 -0.169542D+01  0.323993D+01 -0.150734D+01
      2  -0.491498D+01  0.707882D+00  0.493055D+00 -0.150734D+01  0.162109D+00
      3  -0.169542D+01  0.493055D+00 -0.103516D-01 -0.435257D+00 -0.946977D+00
                36            37            38            39            40 
      1  -0.435257D+00  0.939855D+01 -0.895388D+00 -0.777261D+00  0.331692D+01
      2  -0.946977D+00 -0.895388D+00 -0.520059D+00 -0.402507D+00 -0.163872D+01
      3   0.290272D+00 -0.777261D+00 -0.402507D+00 -0.293187D+01 -0.108206D+01
                41            42            43            44            45 
      1  -0.163872D+01 -0.108206D+01 -0.130029D+02  0.428597D+00  0.420390D+00
      2   0.212787D+01 -0.231079D+01  0.428597D+00 -0.112234D+01 -0.792965D+00
      3  -0.231079D+01 -0.120881D+01  0.420390D+00 -0.792965D+00 -0.133913D+01
                46            47            48            49            50 
      1  -0.117765D+02  0.348938D+00  0.857304D+00  0.507282D+01  0.195779D+01
      2   0.348938D+00  0.654676D+00 -0.253245D-01  0.195779D+01  0.166309D+01
      3   0.857304D+00 -0.253245D-01  0.151416D+01 -0.365059D+00 -0.287460D+01
                51            52            53            54            55 
      1  -0.365059D+00 -0.982536D+01  0.314458D+00 -0.134413D+00 -0.133232D+02
      2  -0.287460D+01  0.314458D+00 -0.132023D+01 -0.831723D+00 -0.285005D+01
      3  -0.218318D+01 -0.134413D+00 -0.831723D+00 -0.176188D+01 -0.444051D+00
                56            57            58            59            60 
      1  -0.285005D+01 -0.444051D+00 -0.650125D+01 -0.689527D+01 -0.345408D+00
      2  -0.359420D+01  0.690965D-01 -0.689527D+01  0.990648D-01 -0.190091D+01
      3   0.690965D-01 -0.154211D+01 -0.345408D+00 -0.190091D+01  0.194112D+01
                61            62            63            64            65 
      1  -0.165672D+01 -0.593931D+00 -0.313439D+01 -0.408232D+01  0.419704D+01
      2  -0.593931D+00 -0.251255D+01  0.281847D+01  0.419704D+01  0.281780D+01
      3  -0.313439D+01  0.281847D+01  0.426666D+01  0.215038D+01 -0.255073D+00
                66            67            68            69            70 
      1   0.215038D+01  0.123776D+02  0.499009D+01 -0.241036D-01  0.497800D+01
      2  -0.255073D+00  0.499009D+01  0.177022D+01  0.297964D+01  0.739690D+00
      3   0.695170D+00 -0.241036D-01  0.297964D+01 -0.261220D+01  0.272626D+00
                71            72            73            74            75 
      1   0.739690D+00  0.272626D+00  0.319914D+01 -0.311379D+01 -0.222856D+01
      2   0.314783D+01 -0.235596D+01 -0.311379D+01 -0.320442D+01 -0.506522D-01
      3  -0.235596D+01 -0.381402D+01 -0.222856D+01 -0.506522D-01 -0.137368D+01
                76            77            78            79            80 
      1  -0.450452D+01 -0.414833D+01  0.763999D-02 -0.268270D+01  0.211184D+00
      2  -0.414833D+01 -0.118340D+01 -0.394858D+01  0.211184D+00 -0.299786D+01
      3   0.763999D-02 -0.394858D+01  0.276975D+01 -0.371289D+00  0.245609D+01
                81            82            83            84            85 
      1  -0.371289D+00  0.318443D+01 -0.373867D+01 -0.123528D+01 -0.583941D+01
      2   0.245609D+01 -0.373867D+01 -0.360705D+01  0.310089D+00 -0.397670D+01
      3   0.233543D+01 -0.123528D+01  0.310089D+00 -0.982191D+00 -0.107151D+00
                86            87            88            89            90 
      1  -0.397670D+01 -0.107151D+00 -0.185448D+01 -0.856458D+00 -0.732949D+00
      2  -0.270181D+01 -0.222649D+01 -0.856458D+00 -0.295843D+01  0.203822D+01
      3  -0.222649D+01  0.283257D+01 -0.732949D+00  0.203822D+01  0.557547D+01
                91            92            93            94            95 
      1   0.472722D+01  0.199386D+01  0.178043D+01 -0.277897D+01  0.534063D+01
      2   0.199386D+01  0.146565D+01  0.320110D+00  0.534063D+01 -0.331981D+01
      3   0.178043D+01  0.320110D+00  0.150491D+01  0.142385D+01  0.436126D+00
                96            97            98            99           100 
      1   0.142385D+01  0.277670D+01  0.194649D+01  0.234534D+01  0.103912D+01
      2   0.436126D+00  0.194649D+01  0.471448D+00  0.254265D+01 -0.129504D+01
      3   0.210192D+01  0.234534D+01  0.254265D+01 -0.320060D+01 -0.153193D+01
               101           102           103           104           105 
      1  -0.129504D+01 -0.153193D+01 -0.645381D+00 -0.439900D+00  0.119008D+01
      2   0.257143D+00  0.740328D+00 -0.439900D+00  0.204205D+01 -0.171954D+01
      3   0.740328D+00  0.539378D+00  0.119008D+01 -0.171954D+01 -0.324124D+01
               106           107           108           109           110 
      1  -0.364966D+01  0.173904D+01  0.124510D+01 -0.239964D+01  0.178985D+01
      2   0.173904D+01 -0.365797D+01 -0.331095D+01  0.178985D+01 -0.931638D+00
      3   0.124510D+01 -0.331095D+01 -0.215096D+01  0.311687D+01 -0.726480D+00
               111           112           113           114           115 
      1   0.311687D+01  0.311393D+01 -0.277760D+01 -0.165163D+01  0.615808D+01
      2  -0.726480D+00 -0.277760D+01  0.505325D+01  0.382870D+01 -0.286329D+01
      3  -0.134226D+01 -0.165163D+01  0.382870D+01  0.358815D+01 -0.312142D+01
               116           117           118           119           120 
      1  -0.286329D+01 -0.312142D+01  0.353097D+00 -0.520391D+00 -0.136787D+01
      2   0.500750D+01  0.410255D+01 -0.520391D+00  0.176001D+01 -0.121016D+00
      3   0.410255D+01  0.884435D+01 -0.136787D+01 -0.121016D+00 -0.169170D+00
               121           122           123           124           125 
      1  -0.143448D+01  0.296674D+01 -0.354170D+00 -0.374103D+01  0.942048D+00
      2   0.296674D+01 -0.655496D+01 -0.191133D+00  0.942048D+00 -0.159491D+01
      3  -0.354170D+00 -0.191133D+00 -0.663835D-01 -0.956791D+00  0.135535D+01
               126           127           128           129           130 
      1  -0.956791D+00  0.335370D+01 -0.990951D+00  0.240584D+01 -0.179016D+01
      2   0.135535D+01 -0.990951D+00  0.946319D+00 -0.995730D+00  0.629482D+00
      3  -0.399384D+01  0.240584D+01 -0.995730D+00  0.214680D+01 -0.127365D+01
               131           132           133           134           135 
      1   0.629482D+00 -0.127365D+01  0.248952D+01 -0.116093D+01  0.275477D+01
      2  -0.826020D+00  0.859971D+00 -0.116093D+01  0.168476D+01 -0.202810D+01
      3   0.859971D+00 -0.198373D+01  0.275477D+01 -0.202810D+01  0.485131D+01
               136           137           138           139           140 
      1  -0.203523D+01 -0.622556D+00  0.198355D+01 -0.359891D+00 -0.178681D+00
      2  -0.622556D+00 -0.383376D+00  0.614370D+00 -0.178681D+00 -0.547851D+00
      3   0.198355D+01  0.614370D+00 -0.218800D+01  0.615451D+00  0.718336D+00
               141           142           143           144           145 
      1   0.615451D+00  0.205076D+01  0.928320D+00 -0.254395D+01 -0.451133D+01
      2   0.718336D+00  0.928320D+00  0.159179D+01 -0.225489D+01  0.157178D+01
      3  -0.210225D+01 -0.254395D+01 -0.225489D+01  0.705492D+01 -0.192093D+01
               146           147           148           149           150 
      1   0.157178D+01 -0.192093D+01  0.240592D+01 -0.113716D+01  0.105988D+01
      2  -0.117553D+01  0.521387D+00 -0.113716D+01  0.988496D+00 -0.491858D+00
      3   0.521387D+00 -0.182353D+01  0.105988D+01 -0.491858D+00  0.184617D+01
               151           152           153           154           155 
      1  -0.218714D+01  0.571583D+00 -0.259080D+01  0.200456D+01  0.609814D+00
      2   0.571583D+00 -0.952686D+00  0.140770D+01  0.609814D+00  0.309675D+00
      3  -0.259080D+01  0.140770D+01 -0.468722D+01 -0.189583D+01 -0.297743D+00
               156           157           158           159           160 
      1  -0.189583D+01  0.236013D+00  0.174766D+00 -0.526491D+00 -0.227952D+01
      2  -0.297743D+00  0.174766D+00  0.322647D+00 -0.466920D+00 -0.802313D+00
      3   0.202506D+01 -0.526491D+00 -0.466920D+00  0.184062D+01  0.264466D+01
               161           162           163           164           165 
      1  -0.802313D+00  0.264466D+01  0.165481D+01 -0.435938D+00 -0.163722D+01
      2  -0.111986D+01  0.138083D+01 -0.435938D+00  0.934634D+00  0.443679D+00
      3   0.138083D+01 -0.700299D+01 -0.163722D+01  0.443679D+00  0.133561D+01
               166           167           168           169           170 
      1   0.887906D+00  0.149349D+01  0.482906D+00 -0.454265D+01  0.723069D+00
      2   0.149349D+01 -0.118026D+01 -0.124705D+01  0.723069D+00 -0.191889D+01
      3   0.482906D+00 -0.124705D+01 -0.137274D+01  0.287425D+01 -0.247657D+01
               171           172           173           174           175 
      1   0.287425D+01  0.322502D+01 -0.176347D+01  0.109698D+01 -0.251691D+01
      2  -0.247657D+01 -0.176347D+01  0.225395D+01 -0.391525D+00  0.306015D+01
      3  -0.630194D+01  0.109698D+01 -0.391525D+00  0.725012D+00 -0.583973D+00
               176           177           178           179           180 
      1   0.306015D+01 -0.583973D+00  0.435774D+01 -0.929368D+00  0.123988D+01
      2  -0.522770D+01  0.145973D+01 -0.929368D+00  0.273355D+01 -0.158551D+01
      3   0.145973D+01 -0.117877D+01  0.123988D+01 -0.158551D+01  0.104837D+01
               181           182           183           184           185 
      1   0.128507D+02 -0.143245D+01 -0.148128D+01 -0.305108D+01  0.110179D+01
      2  -0.143245D+01  0.120942D+01  0.189713D+00  0.110179D+01 -0.103984D+01
      3  -0.148128D+01  0.189713D+00  0.141738D+01  0.110810D+00 -0.645403D+00
               186           187           188           189           190 
      1   0.110810D+00 -0.209924D+01 -0.169778D-01  0.184889D+01 -0.714647D+01
      2  -0.645403D+00 -0.169778D-01 -0.724367D+00  0.103800D+00  0.115422D+00
      3  -0.561388D-01  0.184889D+01  0.103800D+00 -0.269391D+00  0.570732D+00
               191           192           193           194           195 
      1   0.115422D+00  0.570732D+00 -0.121651D+00 -0.914118D+00 -0.648893D+00
      2  -0.142308D+01 -0.831657D+00 -0.914118D+00  0.764935D+00  0.747619D+00
      3  -0.831657D+00 -0.198899D+01 -0.648893D+00  0.747619D+00  0.393911D+00
               196           197           198           199           200 
      1   0.405819D+00 -0.493199D+00 -0.905120D+00  0.398235D+01  0.297476D+01
      2  -0.493199D+00  0.546752D+00  0.827146D-01  0.297476D+01  0.288073D+01
      3  -0.905120D+00  0.827146D-01  0.957594D+00  0.203374D+01  0.121806D+01
               201           202           203           204           205 
      1   0.203374D+01  0.377561D+01  0.370556D+01  0.180325D+01  0.117352D+01
      2   0.121806D+01  0.370556D+01  0.512371D+01  0.251195D+01  0.850287D+00
      3   0.182024D+01  0.180325D+01  0.251195D+01  0.206664D+01  0.144062D+01
               206           207           208           209           210 
      1   0.850287D+00  0.144062D+01  0.115155D+01 -0.656931D+00  0.149296D+01
      2   0.131536D+01  0.114933D+01 -0.656931D+00  0.124581D+01 -0.629454D+00
      3   0.114933D+01  0.123489D+01  0.149296D+01 -0.629454D+00  0.153523D+01
               211           212           213           214           215 
      1  -0.150875D+01  0.123046D+01 -0.128503D+01  0.158750D+01 -0.638987D+00
      2   0.123046D+01 -0.320399D+01  0.245286D+01 -0.638987D+00  0.203534D+01
      3  -0.128503D+01  0.245286D+01 -0.359253D+01  0.152280D+01 -0.208097D+01
               216           217           218           219           220 
      1   0.152280D+01  0.388677D+00  0.395487D+00 -0.112418D+01 -0.161277D-01
      2  -0.208097D+01  0.395487D+00  0.604278D+00 -0.109612D+00  0.369822D+00
      3   0.393509D+01 -0.112418D+01 -0.109612D+00  0.107308D+01  0.813232D-01
               221           222           223           224           225 
      1   0.369822D+00  0.813232D-01 -0.153854D+01 -0.293095D+00  0.134585D+01
      2  -0.164709D+00 -0.662579D+00 -0.293095D+00 -0.131991D+01  0.275853D+00
      3  -0.662579D+00 -0.125258D+01  0.134585D+01  0.275853D+00 -0.861213D+01
               226           227           228           229           230 
      1   0.337647D+01  0.339390D+01 -0.343934D-01  0.347546D+01  0.420285D+01
      2   0.339390D+01  0.392185D+01 -0.246397D+00  0.420285D+01  0.724412D+01
      3  -0.343934D-01 -0.246397D+00  0.976123D+00 -0.184494D+00 -0.118668D+00
               231           232           233           234           235 
      1  -0.184494D+00  0.970964D+00  0.714716D+00  0.776706D+00 -0.563429D+01
      2  -0.118668D+00  0.714716D+00  0.149137D+01  0.632725D+00  0.120240D+01
      3   0.765345D+00  0.776706D+00  0.632725D+00 -0.118111D+00  0.403856D+00
               236           237           238           239           240 
      1   0.120240D+01  0.403856D+00  0.250304D+01 -0.875822D-01 -0.914545D-01
      2  -0.187007D+01  0.279122D+00 -0.875822D-01  0.202553D+01 -0.557231D-03
      3   0.279122D+00 -0.105870D+01 -0.914545D-01 -0.557231D-03  0.198208D+00
               241           242           243           244           245 
      1   0.636364D+00 -0.135025D+00 -0.461025D+00  0.139476D-01 -0.860867D+00
      2  -0.135025D+00  0.605427D+00  0.933305D-01 -0.860867D+00 -0.620324D+00
      3  -0.461025D+00  0.933305D-01 -0.324341D+00  0.118832D+01  0.202729D+00
               246           247           248           249           250 
      1   0.118832D+01 -0.124006D+01 -0.110024D+01  0.347483D+00  0.257604D+01
      2   0.202729D+00 -0.110024D+01 -0.855417D+00  0.113977D+01  0.385182D+00
      3  -0.108374D+01  0.347483D+00  0.113977D+01 -0.144690D+01 -0.178821D+01
               251           252           253           254           255 
      1   0.385182D+00 -0.178821D+01  0.718336D+01 -0.121051D+01 -0.204953D+01
      2   0.152740D+01 -0.131452D+01 -0.121051D+01 -0.295608D+01 -0.970131D+00
      3  -0.131452D+01  0.513171D+01 -0.204953D+01 -0.970131D+00 -0.146418D+01
               256           257           258           259           260 
      1  -0.396141D+01 -0.254350D+01 -0.122486D+01 -0.627006D+01 -0.146854D+01
      2  -0.254350D+01  0.499461D+01 -0.376595D+00 -0.146854D+01 -0.170041D+01
      3  -0.122486D+01 -0.376595D+00 -0.225037D+01 -0.196065D+01 -0.235040D+01
               261           262           263           264           265 
      1  -0.196065D+01 -0.108670D+01  0.139012D+01 -0.576019D+00  0.231395D+01
      2  -0.235040D+01  0.139012D+01 -0.156144D+01  0.419801D+00 -0.326984D+01
      3   0.275036D+01 -0.576019D+00  0.419801D+00 -0.427349D+00  0.827305D+00
               266           267           268           269           270 
      1  -0.326984D+01  0.827305D+00 -0.756568D-01 -0.215336D+00 -0.308172D+00
      2   0.864386D+01 -0.179244D+01 -0.215336D+00  0.417257D+00  0.593204D+00
      3  -0.179244D+01  0.158600D+01 -0.308172D+00  0.593204D+00 -0.716698D+00
               271           272           273           274           275 
      1  -0.351867D-01  0.468217D+00 -0.414993D+00  0.145229D+01  0.296706D+00
      2   0.468217D+00  0.511720D+00  0.212602D+00  0.296706D+00  0.179515D+00
      3  -0.414993D+00  0.212602D+00  0.420850D+00  0.389043D+00 -0.596885D+00
               276           277           278           279           280 
      1   0.389043D+00 -0.196784D+01 -0.206336D+00 -0.755381D+00 -0.143964D+02
      2  -0.596885D+00 -0.206336D+00 -0.125943D+01  0.300068D+00 -0.140590D+01
      3   0.123431D+01 -0.755381D+00  0.300068D+00 -0.601463D+01 -0.144996D+00
               281           282           283           284           285 
      1  -0.140590D+01 -0.144996D+00  0.922445D+00 -0.108327D+01  0.135622D+00
      2  -0.130858D+01 -0.151015D+00 -0.108327D+01 -0.481396D+00  0.114114D+00
      3  -0.151015D+00 -0.106109D+01  0.135622D+00  0.114114D+00  0.360637D+00
               286           287           288           289           290 
      1   0.203297D+01  0.407624D+00 -0.101891D+01 -0.531921D-01 -0.730050D+00
      2   0.407624D+00  0.523827D+00  0.129760D+00 -0.730050D+00  0.170237D+01
      3  -0.101891D+01  0.129760D+00  0.951030D-01  0.233103D+00  0.318931D+00
               291           292           293           294           295 
      1   0.233103D+00 -0.168847D+01 -0.583790D+00 -0.147839D+00  0.909987D+00
      2   0.318931D+00 -0.583790D+00 -0.902253D+01 -0.884355D+00  0.290845D+00
      3   0.420522D+00 -0.147839D+00 -0.884355D+00 -0.107098D+01  0.119785D+00
               296           297 
      1   0.290845D+00  0.119785D+00
      2   0.497237D+00 -0.717017D+00
      3  -0.717017D+00 -0.352808D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.186754D+01  0.691883D+00  0.345920D+01  0.928775D+01  0.179561D+01
      2  -0.648632D+00 -0.189284D+01  0.362461D+01 -0.397338D+01 -0.173472D+01
      3   0.154102D+02 -0.136480D+01 -0.136433D+01  0.126333D+02  0.129633D+01
                 6             7             8             9            10 
      1  -0.216767D+01  0.273568D+01  0.328370D+01  0.204633D-01 -0.235080D+01
      2   0.105650D+01 -0.368289D+01  0.879936D+00 -0.723772D+00 -0.540435D+00
      3  -0.530020D+01 -0.135638D+02 -0.192499D+01 -0.142509D+01 -0.376046D+02
                11            12            13            14            15 
      1  -0.332981D+00  0.141959D+01  0.296519D+01  0.442159D+01 -0.927840D+01
      2   0.567077D+00 -0.275435D+01  0.423553D+01 -0.421779D+00 -0.135866D-01
      3  -0.178758D+01  0.106789D+01  0.979229D+01 -0.200800D+01 -0.865580D+00
                16            17            18            19            20 
      1  -0.372301D+01 -0.192857D+01 -0.344757D+01 -0.190066D+01 -0.180110D+00
      2  -0.229665D+02 -0.169706D+01 -0.372423D+01 -0.105303D+01 -0.244034D+01
      3  -0.126443D+01 -0.106076D+01 -0.821705D+00 -0.155580D+02 -0.442569D+00
                21            22            23            24            25 
      1  -0.187315D+01 -0.492749D+01  0.211380D+01  0.845848D+00 -0.121949D+01
      2   0.791228D+01 -0.321983D+01  0.166337D+01 -0.226574D+01 -0.625359D+01
      3   0.286987D+01  0.161447D+02 -0.706040D+00  0.252278D+01 -0.108038D+02
                26            27            28            29            30 
      1   0.314335D+01  0.240869D+01  0.731630D-01  0.168923D+01 -0.266743D+01
      2  -0.907094D+00  0.160993D+01  0.336143D+01  0.770905D+00 -0.324762D+01
      3   0.341181D+01  0.212725D+01  0.322735D+02 -0.459764D+00 -0.239993D+01
                31            32            33            34            35 
      1  -0.846709D+00  0.381915D+01 -0.939933D+01 -0.518992D+01 -0.112833D+01
      2   0.437332D+01  0.631355D-01  0.265643D+01 -0.249547D+02  0.456199D+01
      3   0.641414D+01  0.509840D+01  0.135375D+01 -0.776884D+01 -0.102905D+01
                36            37            38            39            40 
      1  -0.280690D+01  0.621829D+00  0.543904D+00 -0.182527D+01  0.552942D+01
      2   0.149870D+01 -0.438563D+01 -0.187212D+01  0.374842D+01 -0.495662D+01
      3   0.181113D+01 -0.131078D+02 -0.466464D+00  0.314234D+01  0.775154D+01
                41            42            43            44            45 
      1  -0.190622D+01 -0.325401D+01  0.349186D+01  0.183768D+01 -0.186217D+01
      2  -0.197092D+01  0.989442D+00 -0.124344D+01  0.560049D+00 -0.259308D+01
      3   0.141829D+01 -0.291014D+01  0.196714D+02 -0.161471D+01 -0.436703D+01
                46            47            48            49            50 
      1   0.173810D+01 -0.167252D+01  0.139029D+01 -0.750302D+01 -0.218934D+01
      2   0.344367D+01 -0.278012D+01  0.947093D+01 -0.270838D+01  0.224759D+01
      3   0.198978D+02 -0.194164D+01  0.269377D+01  0.703700D+01 -0.177196D+01
                51            52            53            54            55 
      1  -0.208279D+01 -0.924277D+00  0.190692D+01 -0.508721D+00  0.134737D+01
      2  -0.350465D+01 -0.388408D+01 -0.129776D+01  0.309858D+01 -0.632662D+01
      3   0.291120D+01  0.151578D+02  0.386405D+00  0.244879D+01  0.236187D+02
                56            57            58            59            60 
      1   0.141413D+01 -0.273833D+00  0.343341D+01 -0.276835D+01  0.252276D+01
      2  -0.410124D+00 -0.298316D+01 -0.355228D+01 -0.112517D+02  0.857277D+01
      3   0.120185D+02 -0.157249D+00  0.392531D+02  0.993303D+01  0.780485D+01
                61            62            63            64            65 
      1  -0.544386D+00  0.750445D+01  0.380709D+01 -0.153495D+01  0.284270D-01
      2  -0.195996D+02  0.939750D+01  0.143677D+02  0.106119D+02 -0.288903D+00
      3   0.382786D+01  0.102897D+02 -0.536751D+01 -0.270511D+02 -0.157044D+02
                66            67            68            69            70 
      1  -0.804137D+00 -0.269872D+01 -0.204332D+01 -0.267209D+01  0.272792D+01
      2   0.658647D+01  0.397706D+01  0.141716D+02 -0.118799D+02 -0.933302D+00
      3   0.163295D+01 -0.260790D+02 -0.905812D+01 -0.122803D+02 -0.559967D+01
                71            72            73            74            75 
      1   0.539177D+01  0.179205D+01 -0.171231D+01 -0.590612D+01  0.866403D+00
      2  -0.101490D+02 -0.158461D+02 -0.171573D+02  0.499812D+01  0.252543D+01
      3  -0.136734D+02  0.813623D+01  0.167893D+02  0.875082D+01 -0.247291D+01
                76            77            78            79            80 
      1  -0.832128D+01  0.126773D+01 -0.133089D+02  0.744911D+00 -0.649872D+01
      2   0.615797D+01 -0.950209D+01  0.116798D+02  0.236468D+01  0.100766D+02
      3   0.163843D+02  0.216695D+01  0.151262D+02 -0.283637D+01  0.117717D+02
                81            82            83            84            85 
      1   0.319704D+01  0.562577D+01  0.392111D+01  0.161660D+01  0.587556D+01
      2   0.114544D+02  0.554836D+00 -0.369635D+01 -0.260919D+01 -0.708916D+01
      3  -0.100247D+02  0.237921D+02  0.412791D+01 -0.210338D+01  0.798165D+01
                86            87            88            89            90 
      1   0.874284D+01 -0.507952D+01  0.313594D+01  0.228942D+01 -0.149075D+02
      2  -0.133531D+02  0.111643D+02 -0.600185D+01  0.766562D+01  0.188784D+02
      3   0.223861D+01  0.933954D+01  0.884037D+00  0.106068D+02 -0.818280D+01
                91            92            93            94            95 
      1   0.164049D+01 -0.115332D+01  0.145278D+01  0.563165D+00 -0.153086D+01
      2  -0.986043D+01  0.140620D+00 -0.126068D+01 -0.520529D+00 -0.406163D+01
      3  -0.321827D+01 -0.750029D+00 -0.673374D+00  0.317321D+02 -0.153804D+02
                96            97            98            99           100 
      1  -0.229995D+01  0.110082D+01  0.508526D+01 -0.107220D-01  0.157254D+01
      2  -0.922625D+01 -0.158410D+02 -0.889630D+01  0.109344D+02  0.501352D+01
      3  -0.133049D+01  0.205155D+01 -0.918452D+00  0.620239D+01  0.121037D+02
               101           102           103           104           105 
      1   0.151973D+01 -0.346941D+01  0.109135D+01 -0.194392D+01  0.183075D+01
      2  -0.336304D+01  0.749627D+01 -0.136219D+01  0.527181D+01  0.173358D+02
      3  -0.140957D+02  0.145629D+01 -0.657401D+01 -0.689262D+00 -0.415538D+01
               106           107           108           109           110 
      1  -0.346742D+01 -0.157534D+01  0.462905D+01 -0.342856D+01 -0.206883D+01
      2  -0.105843D+01  0.127103D+02  0.864889D+01 -0.793672D+01  0.208083D+01
      3   0.981539D+01 -0.121137D+02 -0.971057D+01 -0.184548D+00 -0.743493D+00
               111           112           113           114           115 
      1   0.201330D+01 -0.200406D+01  0.433697D+01 -0.653704D+01  0.542757D+00
      2   0.418034D+01 -0.187008D+01 -0.103283D+02 -0.141339D+02  0.101777D+01
      3  -0.651516D-01 -0.368377D+01  0.195183D+02  0.119544D+02 -0.108391D+02
               116           117           118           119           120 
      1   0.688115D+01 -0.103952D+02  0.372015D+01 -0.733680D+00  0.427969D+00
      2  -0.120456D+02 -0.302093D+02  0.524009D+01 -0.448121D+00  0.177615D+01
      3   0.177618D+02  0.121685D+02 -0.347158D+01  0.410878D+01 -0.261943D+01
               121           122           123           124           125 
      1  -0.155614D+01  0.452107D+01 -0.151813D+01 -0.118276D+01  0.637835D+01
      2   0.514451D+00  0.318883D+01 -0.919062D+00 -0.141561D+01 -0.372824D+01
      3   0.844426D+01 -0.181323D+02 -0.140057D+01  0.215294D+01 -0.592562D+01
               126           127           128           129           130 
      1   0.756295D+01  0.294400D+01  0.130487D+01  0.273864D+01 -0.187983D+01
      2   0.147232D+02 -0.451474D+01 -0.374327D-01 -0.216683D+00  0.133585D+01
      3   0.490664D+01 -0.527959D+01 -0.100220D+01 -0.250245D+01  0.360950D+01
               131           132           133           134           135 
      1   0.213063D+00 -0.358593D+01  0.290697D+01  0.127702D+01  0.500766D+01
      2   0.250043D+00 -0.108209D+01 -0.254755D+01 -0.532946D+00  0.222189D+01
      3   0.640138D+00  0.917074D+00 -0.318205D+01 -0.150657D+01 -0.174744D+01
               136           137           138           139           140 
      1   0.201990D+01 -0.962469D+00 -0.250563D+01  0.981613D+00  0.102722D-01
      2   0.419548D+01  0.419999D+00 -0.108432D+01  0.569276D+00 -0.765509D-01
      3   0.292626D+01  0.143913D-02 -0.211862D+01  0.152569D+01 -0.277192D+00
               141           142           143           144           145 
      1  -0.350211D+01 -0.190772D+01  0.205722D+01  0.608072D+01 -0.392142D+01
      2   0.563464D+00 -0.448440D+01 -0.477305D+00 -0.500898D+00 -0.972122D+01
      3  -0.672082D+00 -0.266050D+01  0.775430D+00  0.218326D+01  0.140742D+01
               146           147           148           149           150 
      1   0.420884D+01 -0.779190D+00  0.267938D+01 -0.238119D+01 -0.571307D+00
      2   0.291733D+01 -0.132833D+01  0.405148D+01 -0.193099D+01  0.209400D+00
      3  -0.207279D+01  0.685084D+00 -0.219697D+00  0.163165D+01 -0.918410D-01
               151           152           153           154           155 
      1  -0.127326D+01  0.361958D+01 -0.311055D+01 -0.235884D+01 -0.208868D+01
      2  -0.399839D+01 -0.131319D+00  0.373493D+00  0.451720D+01  0.116338D+01
      3   0.349038D+00 -0.209235D+01  0.169944D+01 -0.692466D+00 -0.956013D+00
               156           157           158           159           160 
      1   0.121397D+01 -0.450503D+00 -0.118467D+01 -0.211462D+00  0.324266D+01
      2  -0.107952D+01  0.392831D+00 -0.351420D-02  0.465905D+00 -0.489805D+01
      3   0.942408D+00  0.869800D+00 -0.342220D+00  0.213891D+00  0.133167D+01
               161           162           163           164           165 
      1   0.531665D+01 -0.542722D+01 -0.128644D+01 -0.505324D+00  0.137366D+01
      2  -0.560431D+00 -0.206484D+01 -0.573187D+01  0.761818D+00  0.520466D+01
      3   0.220755D+01 -0.186866D+01 -0.113215D+01 -0.386690D+01  0.743336D+00
               166           167           168           169           170 
      1  -0.183589D+00 -0.209411D+00 -0.207309D+01  0.258276D+01  0.954155D+00
      2   0.162818D+01 -0.329955D+01 -0.481570D+01  0.492055D+01 -0.864191D+01
      3  -0.471782D+01  0.220520D+01  0.302506D+01  0.345647D+01  0.584391D+01
               171           172           173           174           175 
      1  -0.672707D+01  0.175687D+01 -0.122124D+01  0.172873D+01 -0.221128D+01
      2  -0.211659D+02  0.640297D+01 -0.236211D+01  0.475666D+01 -0.286781D+01
      3   0.417325D+01  0.210455D+01 -0.676879D+01  0.106271D+00 -0.503718D+01
               176           177           178           179           180 
      1   0.364717D+01 -0.449768D+01  0.175722D+01 -0.199486D+01  0.297277D+01
      2   0.726694D+01 -0.554973D+01  0.421640D+01 -0.649359D+01  0.450429D+01
      3   0.143543D+02 -0.401828D+01 -0.284724D+01 -0.879638D+01  0.372216D+01
               181           182           183           184           185 
      1   0.296709D+00 -0.502704D+00 -0.249779D+00  0.692820D-01  0.439941D+00
      2  -0.337226D+01  0.512635D+00  0.901743D+01 -0.398358D+00 -0.293391D+01
      3   0.573525D+01 -0.849040D+01 -0.795163D+00 -0.198726D+01  0.484962D+01
               186           187           188           189           190 
      1  -0.964685D+00 -0.482474D+00  0.955060D+00 -0.127286D+00 -0.212188D+01
      2   0.412886D-01  0.585631D+01  0.572859D+00 -0.630109D+00  0.199375D+02
      3   0.311033D+01  0.547415D+00  0.381352D+01 -0.743420D+00 -0.893334D+01
               191           192           193           194           195 
      1  -0.285096D+01  0.128743D+01 -0.187454D+01  0.830014D-01 -0.137706D+00
      2  -0.312665D+01 -0.767562D+01 -0.209297D+01  0.503105D+01  0.211546D+01
      3   0.390647D+01  0.394555D+01  0.517442D+01 -0.284653D+01 -0.314667D+01
               196           197           198           199           200 
      1   0.691717D+00  0.184200D+01 -0.375287D+00  0.331040D+01  0.495516D+01
      2  -0.752160D+01  0.106946D+01  0.475172D+01  0.201277D+01  0.236206D+00
      3   0.264272D+01 -0.182720D+01 -0.134355D+01 -0.858124D+01 -0.110866D+02
               201           202           203           204           205 
      1  -0.609242D+00  0.531393D+01  0.742673D+01  0.414902D-01  0.883661D+00
      2   0.605316D+01 -0.118122D+00  0.460997D+01  0.694435D+01  0.235675D+01
      3  -0.339169D+01 -0.981341D+01 -0.190186D+02 -0.886540D+01 -0.165464D+01
               206           207           208           209           210 
      1   0.272203D+01  0.653146D+00 -0.241695D+01  0.308390D+01 -0.194658D+01
      2   0.283515D+01  0.305025D+01  0.517347D+01 -0.124687D+01  0.483948D+01
      3  -0.503115D+01 -0.363598D+01  0.249228D+01 -0.581365D+01  0.309316D+01
               211           212           213           214           215 
      1   0.259784D+01 -0.940261D+01  0.520970D+01 -0.210543D+01  0.767297D+01
      2  -0.101824D+01  0.837723D+01 -0.135055D+02  0.118694D+01 -0.770445D+01
      3  -0.307979D+01  0.138736D+02 -0.950841D+01  0.244751D+01 -0.849282D+01
               216           217           218           219           220 
      1  -0.594155D+01  0.137331D+01 -0.689312D+00 -0.148692D+01 -0.361464D+00
      2   0.135755D+02 -0.427344D+01 -0.211473D+00  0.311814D+01 -0.447661D+00
      3   0.851052D+01 -0.213350D+01 -0.251351D+01 -0.965330D+00 -0.408964D+00
               221           222           223           224           225 
      1   0.194003D+01  0.222824D+01 -0.151184D+01  0.484445D+01  0.154429D+02
      2  -0.194996D+01 -0.496759D+01 -0.466552D+00  0.324744D+00 -0.302134D+02
      3   0.164273D+01  0.197667D+01 -0.127709D+01  0.474121D+01 -0.896659D+00
               226           227           228           229           230 
      1  -0.390895D+01 -0.425988D+01 -0.307827D+01 -0.525827D+01 -0.830282D+01
      2   0.328778D+01  0.231577D+01  0.536422D+01  0.342220D+01  0.378841D+01
      3  -0.677143D+01 -0.108721D+02  0.126891D+01 -0.645551D+01 -0.213345D+02
               231           232           233           234           235 
      1  -0.387831D+01 -0.213997D+01 -0.161682D+01 -0.933115D+00 -0.131758D+01
      2   0.374602D+01  0.329096D+01  0.269030D+01  0.419945D+00 -0.735901D+01
      3   0.312119D+00 -0.723003D+00 -0.505387D+01 -0.118786D+01 -0.212330D+02
               236           237           238           239           240 
      1   0.153015D+01  0.272120D+01 -0.397107D-01 -0.219229D+01 -0.860147D+00
      2   0.247796D+01 -0.149630D+01  0.305754D+01 -0.238297D+00 -0.467595D+00
      3   0.677445D+01 -0.125082D+00  0.609187D+01 -0.701645D+01 -0.420513D+00
               241           242           243           244           245 
      1   0.178046D+01  0.676604D+00  0.584104D-01  0.528651D-01 -0.386826D+00
      2  -0.312198D+01 -0.365124D+00 -0.164184D+01 -0.487222D+01 -0.329197D+00
      3   0.140815D+01 -0.245125D+01 -0.137697D+01 -0.298464D+01 -0.196951D+01
               246           247           248           249           250 
      1  -0.613769D+00 -0.132209D+00  0.197005D+00 -0.151284D+01 -0.637910D+00
      2   0.357658D+01  0.182336D+00 -0.292386D+01  0.491124D+01  0.864146D+00
      3  -0.476594D-01 -0.761370D+00 -0.193364D+01  0.298699D+01 -0.104093D+01
               251           252           253           254           255 
      1   0.222154D+01  0.251274D+01 -0.173977D+01  0.727296D+00 -0.218647D+01
      2   0.414766D+01 -0.158001D+02  0.172081D+02  0.408920D+01  0.783335D+01
      3   0.440659D+01 -0.295993D+01 -0.154680D+02 -0.111393D+02 -0.448036D+00
               256           257           258           259           260 
      1  -0.119256D+01 -0.588491D+01 -0.541834D+01 -0.107708D+01 -0.895551D+00
      2   0.366074D+01 -0.442002D-01  0.790407D+01  0.513536D+01  0.890523D+01
      3  -0.270950D+01  0.231013D+02  0.102505D+01  0.160251D+01 -0.224967D+01
               261           262           263           264           265 
      1   0.744674D+01  0.331722D-02  0.483490D+00  0.698983D+00  0.936871D+00
      2  -0.149719D+02  0.124370D+01 -0.772556D+00  0.142097D+01 -0.128022D+01
      3  -0.642808D+01  0.294078D+01 -0.358311D+01  0.138101D+01 -0.623032D+01
               266           267           268           269           270 
      1  -0.382247D+01 -0.304402D+01 -0.361797D+00  0.349602D+00 -0.359504D+00
      2   0.455575D+01 -0.535693D+01  0.295688D+00 -0.144646D+01  0.188982D+01
      3   0.268104D+02 -0.544042D+01 -0.542484D+00  0.152825D+01  0.177487D+01
               271           272           273           274           275 
      1  -0.177767D+01 -0.745975D+00  0.432675D+00 -0.837056D-01 -0.216601D+01
      2   0.479035D+01  0.246111D+00 -0.216062D+01  0.137487D+01  0.308394D+01
      3   0.211662D+01  0.911814D+00  0.909825D+00  0.644500D+00  0.589946D+00
               276           277           278           279           280 
      1   0.192577D+01 -0.201998D+00  0.446860D+01 -0.990161D+01  0.752360D+00
      2  -0.516210D+01 -0.256068D+01 -0.224819D+01  0.237820D+02 -0.881113D+01
      3  -0.260717D+01  0.127678D+01 -0.451081D+01  0.270260D+01  0.146398D+02
               281           282           283           284           285 
      1   0.755470D+00 -0.182092D+01  0.878628D+00  0.464745D+00  0.413211D-01
      2  -0.854596D-01  0.767809D+01 -0.590040D+00 -0.107784D+01 -0.135932D+01
      3  -0.642339D+01 -0.727445D+00 -0.414885D+01 -0.322171D+00  0.369356D+00
               286           287           288           289           290 
      1  -0.171036D+01  0.863830D+00 -0.510888D-01  0.106009D+01 -0.596666D+00
      2   0.407134D+01 -0.771417D+00 -0.651893D+00 -0.841458D+00 -0.162708D+01
      3  -0.125097D+01  0.163614D+01  0.201934D+01 -0.415147D+01  0.618574D+01
               291           292           293           294           295 
      1   0.134858D+01 -0.266873D+00  0.578049D+01 -0.368188D+01  0.644258D+00
      2  -0.139579D+01 -0.867731D+00  0.353317D+01  0.385337D+01 -0.158225D+01
      3   0.333439D+00  0.386186D+01 -0.312245D+02 -0.234690D+01 -0.768249D+00
               296           297 
      1  -0.376326D+00  0.583382D-02
      2   0.238989D+01  0.136532D+01
      3   0.109187D+01 -0.249840D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713817D+01  0.103682D+02 -0.226611D+02 -0.103676D+01 -0.131906D+02
      2   0.232009D+01 -0.730107D+01  0.738944D+01 -0.778468D+01  0.217133D+02
      3   0.481808D+01 -0.306714D+01  0.152716D+02  0.882144D+01 -0.852269D+01
      4   0.112962D+02 -0.253875D+00  0.592312D+01  0.886001D+01 -0.713720D+01
      5  -0.127007D+02  0.525545D+01 -0.524656D+00  0.908079D+01  0.390289D+01
      6   0.411817D+01  0.436324D+01 -0.504758D+01  0.226268D-01 -0.639986D+01
                 6             7             8             9            10 
      1   0.608512D+01  0.343103D+02 -0.311177D+01  0.109767D+02  0.491704D+02
      2  -0.124610D+02 -0.941432D+01 -0.923762D+00 -0.567471D+01 -0.233802D+02
      3   0.637589D+01 -0.248960D+02  0.403553D+01 -0.530200D+01 -0.257902D+02
      4   0.279267D+01 -0.425245D+01  0.468366D+00  0.662887D+01 -0.911019D+01
      5   0.701125D+01  0.668513D+01  0.687565D+01 -0.566679D+01 -0.643329D+01
      6   0.453070D+01  0.103504D+02 -0.323019D+01  0.692675D+01  0.268472D+01
                11            12            13            14            15 
      1   0.803899D+01 -0.167740D+01  0.128503D+02 -0.311752D+01  0.601693D+01
      2  -0.732844D+01  0.349136D+01 -0.141209D+02  0.806355D+01 -0.440342D+00
      3  -0.710543D+00 -0.181396D+01  0.127064D+01 -0.494603D+01 -0.557659D+01
      4   0.122750D+01 -0.288900D+01  0.144280D+02 -0.823840D+01 -0.102693D+01
      5  -0.344623D+01  0.924665D+01  0.137682D+02  0.450837D+00 -0.345577D+01
      6   0.132948D+01 -0.666633D+01 -0.401173D+01  0.455046D+01  0.823045D+01
                16            17            18            19            20 
      1  -0.697646D+01  0.683607D+01 -0.195273D+02  0.715837D+01 -0.124098D+02
      2  -0.258214D+01  0.352623D+01  0.294840D+01  0.735921D+00  0.107711D+02
      3   0.955860D+01 -0.103623D+02  0.165789D+02 -0.789429D+01  0.163865D+01
      4   0.156969D+02 -0.956446D-01 -0.259857D+01 -0.957996D+01 -0.241000D+00
      5  -0.157665D+02 -0.355371D+01 -0.194543D+01  0.139089D+02  0.195858D+01
      6  -0.486513D+01  0.250075D+01 -0.396644D+01 -0.149618D+01 -0.553381D+01
                21            22            23            24            25 
      1   0.213584D+02  0.388824D+01 -0.115358D+02 -0.539602D+01 -0.167056D+02
      2  -0.118432D+02  0.434538D+01  0.167524D+02 -0.101705D+02  0.131086D+01
      3  -0.951526D+01 -0.823363D+01 -0.521665D+01  0.155665D+02  0.153948D+02
      4   0.262758D+01  0.135171D+02  0.673653D+01 -0.272793D+01 -0.340591D+01
      5  -0.111298D+02 -0.133686D+01 -0.191408D+01 -0.119057D+01  0.955418D+01
      6   0.637290D+01 -0.935343D+00 -0.711800D+01  0.602057D+01 -0.992696D+01
                26            27            28            29            30 
      1  -0.412634D+01  0.852597D+01  0.170832D+02 -0.323312D+01  0.229961D+01
      2  -0.259144D+01 -0.856291D+00 -0.413016D+01  0.610238D+01  0.129252D+00
      3   0.671778D+01 -0.766968D+01 -0.129530D+02 -0.286927D+01 -0.242886D+01
      4  -0.136598D+01 -0.591153D+01  0.183853D+02  0.156503D+01 -0.196082D+01
      5  -0.598829D+01  0.724196D+01  0.342266D+01 -0.151005D+01  0.743006D+01
      6   0.100964D+01  0.751835D+01  0.358087D+01 -0.884916D+00  0.514268D+01
                31            32            33            34            35 
      1  -0.449266D+01 -0.101281D+01  0.768712D+01 -0.789700D+01  0.945777D+01
      2   0.906253D+01  0.492197D+01 -0.223971D+01  0.182274D+01  0.151614D+01
      3  -0.456987D+01 -0.390916D+01 -0.544741D+01  0.607427D+01 -0.109739D+02
      4   0.140761D+02  0.103549D+01  0.149560D+01  0.112865D+02  0.502908D+01
      5   0.128824D+02  0.216264D+00  0.941594D+00 -0.185167D+02  0.361429D+01
      6  -0.121082D+01  0.357206D+01  0.575255D+01 -0.955820D+00  0.168936D+01
                36            37            38            39            40 
      1  -0.185844D+02 -0.339267D+01  0.556073D+01 -0.235860D+02 -0.844859D+01
      2   0.356516D+01 -0.176630D+01 -0.198092D+01  0.636550D+01 -0.178677D+01
      3   0.150192D+02  0.515897D+01 -0.357981D+01  0.172205D+02  0.102354D+02
      4   0.215036D+01  0.579201D+01 -0.164828D+01  0.284402D+01  0.385027D+01
      5   0.149227D+01 -0.167201D+02  0.250419D+01 -0.195588D+01  0.122688D+01
      6  -0.626895D+01  0.264067D+01  0.456511D+01  0.522437D+01  0.313490D+01
                41            42            43            44            45 
      1  -0.563638D+01 -0.614631D+01  0.208948D+02 -0.905231D+01  0.719850D+01
      2   0.581118D+01  0.386811D+00  0.296183D+00  0.194551D+01 -0.160232D+01
      3  -0.174793D+00  0.575950D+01 -0.211909D+02  0.710680D+01 -0.559619D+01
      4   0.182954D+00  0.384089D+01  0.198396D+01  0.370492D+01  0.610337D+01
      5   0.200821D+01  0.819477D+01  0.112654D+02  0.519954D+01 -0.613103D+01
      6   0.301347D+01  0.828669D+01  0.106589D+02  0.175515D+01  0.104286D+02
                46            47            48            49            50 
      1  -0.358109D-01 -0.896874D+01  0.202765D+02  0.112665D+02 -0.277096D+01
      2   0.653853D+01  0.368602D+01 -0.727425D+01 -0.291797D+01  0.262052D+01
      3  -0.650271D+01  0.528272D+01 -0.130023D+02 -0.834853D+01  0.150446D+00
      4  -0.393256D+01  0.254363D+01 -0.160059D+01  0.777090D+01  0.397513D+01
      5   0.197474D+02  0.139454D+00 -0.815341D+01 -0.833410D+01 -0.405951D+01
      6   0.613986D+00 -0.330455D+01  0.964968D+00 -0.214995D+01  0.446120D+01
                51            52            53            54            55 
      1  -0.174595D+02 -0.209926D+02 -0.940849D+01  0.520966D+01 -0.268917D+02
      2   0.264628D+01  0.306720D+01  0.279120D+01  0.423391D+01  0.124898D+02
      3   0.148132D+02  0.179254D+02  0.661728D+01 -0.944357D+01  0.144018D+02
      4  -0.456457D+01  0.317450D+01 -0.226846D+01 -0.479524D+01 -0.789573D+01
      5  -0.339958D+01  0.970460D+01 -0.384734D+01  0.575351D+01 -0.534821D+01
      6   0.131697D+02 -0.611697D+01  0.532222D+01  0.131227D+02  0.131684D+01
                56            57            58            59            60 
      1  -0.107584D+02 -0.509524D+01 -0.326376D+02 -0.244815D+02  0.125892D+01
      2   0.769640D+01  0.106119D+00  0.231822D+02  0.655168D+01  0.574403D+01
      3   0.306196D+01  0.498912D+01  0.945537D+01  0.179298D+02 -0.700294D+01
      4  -0.258744D+02  0.115138D+01 -0.459088D+02  0.106782D+02 -0.146097D+02
      5   0.684448D+00 -0.123440D+02 -0.970165D+00 -0.143966D+02  0.155383D+02
      6   0.370512D-01  0.206971D+01  0.577326D-01  0.418300D+01 -0.539289D+01
                61            62            63            64            65 
      1  -0.143292D+02  0.330965D+00 -0.344962D+01 -0.839661D+02  0.282074D+02
      2  -0.120144D+01  0.749951D+01  0.637534D+01  0.454358D+02 -0.130718D+02
      3   0.155306D+02 -0.783047D+01 -0.292572D+01  0.385304D+02 -0.151356D+02
      4  -0.944957D+00 -0.188937D+02  0.255117D+02  0.268432D+02  0.222390D+02
      5  -0.241667D+02  0.221990D+02  0.328661D+02  0.217742D+02 -0.239426D+01
      6   0.107032D+02 -0.596781D+01 -0.104116D+02  0.938497D+00 -0.271734D+01
                66            67            68            69            70 
      1   0.215874D+02  0.604840D+02  0.235323D+02 -0.687127D+01  0.324559D+02
      2  -0.123565D+02 -0.280948D+02 -0.111328D+02  0.742848D+01 -0.134126D+02
      3  -0.923089D+01 -0.323893D+02 -0.123996D+02 -0.557212D+00 -0.190433D+02
      4  -0.142308D+01  0.303711D+02  0.100042D+02  0.214081D+02  0.318409D+01
      5   0.682868D+01 -0.111337D+01  0.228470D+02 -0.212068D+02  0.105225D+01
      6   0.167483D+01  0.139441D+01  0.598555D+01 -0.445900D+01 -0.273557D+01
                71            72            73            74            75 
      1  -0.310435D+01  0.404697D+01  0.369535D+02 -0.215457D+02 -0.172030D+02
      2   0.707416D+01 -0.191085D+01 -0.197614D+02  0.437754D+01  0.986606D+01
      3  -0.396981D+01 -0.213612D+01 -0.171921D+02  0.171682D+02  0.733696D+01
      4   0.208613D+02 -0.169380D+02 -0.198628D+02 -0.304075D+02 -0.514151D+01
      5  -0.174660D+02 -0.294494D+02 -0.940745D+01 -0.730610D+01 -0.170535D+02
      6  -0.536912D+01 -0.470971D+01 -0.139058D+02 -0.882315D+01 -0.527216D+00
                76            77            78            79            80 
      1  -0.282621D+02 -0.253056D+02 -0.143661D+01 -0.205623D+02  0.966653D+00
      2   0.578501D+01  0.164485D+02 -0.120358D+02  0.103596D+02 -0.117728D+02
      3   0.224771D+02  0.885717D+01  0.134724D+02  0.102027D+02  0.108061D+02
      4  -0.387740D+02 -0.132050D+02 -0.340365D+02 -0.173235D+01 -0.249985D+02
      5  -0.774800D+01 -0.404262D+02  0.221692D+02 -0.978983D+01  0.200626D+02
      6  -0.138030D+02 -0.591203D+01 -0.944617D+01  0.189351D+01 -0.749758D+01
                81            82            83            84            85 
      1  -0.105540D+02  0.356519D+02 -0.202161D+02 -0.112800D+02 -0.303002D+02
      2   0.773147D+00 -0.343176D+02 -0.429731D+00  0.521424D+01  0.154193D+01
      3   0.978081D+01 -0.133434D+01  0.206458D+02  0.606571D+01  0.287583D+02
      4   0.174655D+02 -0.168645D+02 -0.368703D+02 -0.307150D+00 -0.394662D+02
      5   0.127194D+02 -0.137864D+02  0.572775D+01 -0.546703D+01  0.378966D+01
      6   0.132843D+02  0.127059D+01  0.435007D+01 -0.311081D+01  0.315570D+01
                86            87            88            89            90 
      1  -0.264800D+02  0.844540D+01 -0.124167D+02  0.281188D+01 -0.479700D+00
      2   0.189671D+00 -0.542960D+01  0.671838D+00 -0.645930D+01  0.230015D+02
      3   0.262903D+02 -0.301581D+01  0.117449D+02  0.364742D+01 -0.225218D+02
      4  -0.314161D+02 -0.139721D+02 -0.984088D+01 -0.209354D+02  0.116919D+02
      5  -0.117890D+02  0.209231D+02 -0.387242D+01  0.149750D+02  0.447132D+02
      6  -0.589058D+01  0.107221D+02 -0.120262D+01  0.102740D+02  0.905248D+01
                91            92            93            94            95 
      1   0.582800D+01 -0.412757D+01 -0.684375D+01 -0.515765D+01 -0.157777D+02
      2  -0.501486D+01 -0.678221D+00  0.151366D+01  0.589965D+01  0.817614D+01
      3  -0.813137D+00  0.480579D+01  0.533009D+01 -0.741998D+00  0.760153D+01
      4  -0.160638D+02 -0.131813D+02 -0.430930D+01 -0.338149D+02  0.153169D+02
      5  -0.166243D+02 -0.262976D+01 -0.972696D+01 -0.103386D+02 -0.531016D+01
      6  -0.137279D+00 -0.524575D+01 -0.623737D+01 -0.138204D+01  0.188860D+01
                96            97            98            99           100 
      1  -0.699853D+01 -0.167215D+02 -0.815385D+01 -0.427924D+01  0.626007D+01
      2   0.285687D+01  0.298346D+01 -0.359417D+00  0.618458D+01 -0.235601D+01
      3   0.414166D+01  0.137381D+02  0.851326D+01 -0.190534D+01 -0.390407D+01
      4  -0.524318D+01 -0.181586D+02 -0.593536D+01 -0.206206D+02  0.969804D+01
      5  -0.180781D+02 -0.187227D+02 -0.194277D+02  0.213218D+02  0.116038D+02
      6  -0.273951D+01 -0.901975D+01 -0.468284D+01  0.760405D+01 -0.583249D+01
               101           102           103           104           105 
      1   0.285158D+01  0.466717D+01  0.145339D+02  0.563746D+01  0.186839D+01
      2  -0.505450D+00 -0.316027D+01 -0.125709D+02 -0.126145D+01  0.374839D+01
      3  -0.234613D+01 -0.150691D+01 -0.196306D+01 -0.437600D+01 -0.561679D+01
      4   0.202221D+00 -0.378580D+01 -0.329776D+01 -0.703678D+01  0.948097D+01
      5  -0.499584D+01 -0.381685D+01 -0.116382D+02  0.116074D+02  0.335131D+02
      6   0.359802D+01  0.699629D+01  0.540628D+01 -0.109296D+02 -0.195536D+02
               106           107           108           109           110 
      1   0.140872D+02  0.334740D+00  0.966538D+00  0.180912D+02 -0.134767D+02
      2  -0.971252D+00 -0.901499D+01  0.264611D+01 -0.107256D+02  0.607082D+01
      3  -0.131159D+02  0.868025D+01 -0.361265D+01 -0.736559D+01  0.740583D+01
      4  -0.120566D+02  0.253100D+02  0.238147D+02 -0.187390D+02  0.171551D+02
      5  -0.208809D+02  0.247383D+02  0.175233D+02 -0.272750D+02  0.890532D+01
      6   0.129394D+02 -0.227156D+02 -0.128624D+02  0.112707D+02 -0.275842D+01
               111           112           113           114           115 
      1  -0.208068D+02 -0.139858D+02 -0.809775D+01 -0.686046D+01 -0.261103D+02
      2   0.134492D+02  0.385615D+01  0.175595D+02  0.426353D+01  0.152357D+02
      3   0.735768D+01  0.101296D+02 -0.946173D+01  0.259693D+01  0.108746D+02
      4   0.117771D+02  0.277280D+02 -0.344533D+02 -0.234290D+02  0.242427D+02
      5   0.206948D+02  0.177660D+02 -0.257101D+02 -0.289792D+02  0.357101D+02
      6  -0.493755D+01 -0.802341D+01  0.243233D+02  0.268420D+02 -0.139912D+02
               116           117           118           119           120 
      1  -0.548818D+01 -0.654199D+01  0.727377D+01 -0.331088D+01  0.115024D+02
      2   0.752033D+01 -0.140949D+02 -0.706201D+01  0.778077D+01 -0.766983D+01
      3  -0.203215D+01  0.206368D+02 -0.211763D+00 -0.446988D+01 -0.383260D+01
      4  -0.328592D+02 -0.256227D+02  0.148164D+01 -0.666261D+01 -0.342333D+01
      5  -0.286551D+02 -0.649238D+02  0.101939D+02  0.963384D+00  0.768136D+01
      6   0.278838D+02  0.364547D+02 -0.367733D+01 -0.173266D+01 -0.156403D+01
               121           122           123           124           125 
      1   0.560917D+00 -0.367117D+01  0.303877D+01  0.171031D+02  0.148329D+01
      2   0.961249D+01 -0.171492D+02 -0.355430D+00 -0.930150D+01 -0.269079D+01
      3  -0.101734D+02  0.208204D+02 -0.268334D+01 -0.780158D+01  0.120749D+01
      4  -0.166295D+02  0.442390D+02  0.600787D+00 -0.948239D+01  0.106912D+02
      5   0.113516D+01  0.185267D+00 -0.227578D+01  0.165631D+02 -0.102523D+02
      6  -0.395084D+01  0.341276D+01  0.722816D+01 -0.431899D+01  0.134516D+02
               126           127           128           129           130 
      1  -0.198805D+01  0.266279D+01  0.242419D+01 -0.128971D+01 -0.334448D+00
      2  -0.703428D+01 -0.250836D+01 -0.278069D+01 -0.179580D+01  0.910927D+00
      3   0.902233D+01 -0.154431D+00  0.356494D+00  0.308551D+01 -0.576479D+00
      4  -0.961012D+01 -0.984153D+01  0.745028D+01 -0.783532D+01  0.510549D+01
      5   0.294760D+02  0.151697D+02 -0.541977D+01  0.137299D+02 -0.745035D+01
      6  -0.169359D+02 -0.831176D+01  0.581313D+01 -0.843869D+01  0.524381D+01
               131           132           133           134           135 
      1  -0.362172D+01  0.461083D+01 -0.359569D+01  0.788193D+01 -0.140177D+02
      2   0.201491D+01 -0.113462D+00 -0.198419D+01 -0.437925D+01 -0.208101D+01
      3   0.160681D+01 -0.449737D+01  0.557988D+01 -0.350268D+01  0.160988D+02
      4  -0.545826D+01  0.552983D+01 -0.832126D+01  0.750104D+01 -0.103321D+02
      5   0.486980D+01 -0.813342D+01  0.149492D+02 -0.751041D+01  0.201245D+02
      6  -0.613356D+01  0.845558D+01 -0.102090D+02  0.119334D+02 -0.185065D+02
               136           137           138           139           140 
      1  -0.278419D+01 -0.178669D+01  0.552517D+01 -0.214482D+01 -0.423135D+01
      2  -0.252488D+01  0.496147D+00  0.273744D+01 -0.479974D+00  0.108197D+01
      3   0.530907D+01  0.129054D+01 -0.826261D+01  0.262479D+01  0.314939D+01
      4   0.526360D+01  0.354323D+01 -0.529143D+01  0.218598D+01  0.168606D+01
      5  -0.852110D+01 -0.324560D+01  0.110678D+02 -0.292707D+01 -0.232402D+01
      6  -0.579242D+01 -0.353946D+01  0.633319D+01 -0.273057D+01 -0.502165D+01
               141           142           143           144           145 
      1   0.770042D+01  0.698222D+01  0.103021D+02 -0.277767D+02  0.489941D+01
      2   0.407015D+00  0.200670D+01 -0.314641D+01 -0.538819D+01 -0.527256D+01
      3  -0.810744D+01 -0.898892D+01 -0.715573D+01  0.331648D+02  0.373147D+00
      4  -0.259151D+01 -0.563185D+01 -0.498310D+01  0.770201D+01 -0.406535D+01
      5   0.335200D+01  0.102261D+02  0.470100D+01 -0.158576D+02  0.115244D+02
      6   0.823471D+01  0.824284D+01  0.124883D+02 -0.231088D+02 -0.100920D+01
               146           147           148           149           150 
      1  -0.109000D+01 -0.156646D+01 -0.121206D+01 -0.919522D-01  0.513960D+01
      2   0.637240D+00 -0.470829D+01  0.185045D+01 -0.393421D+00  0.278957D+01
      3   0.452759D+00  0.627476D+01 -0.638390D+00  0.485373D+00 -0.792918D+01
      4   0.558137D+01 -0.468073D+00  0.491898D+01 -0.465547D+01  0.622242D+00
      5  -0.271865D+01  0.999611D+01 -0.442745D+01  0.296888D+01 -0.619003D+01
      6   0.229777D+01 -0.659434D+00  0.104293D+01 -0.302103D+01  0.174530D+01
               151           152           153           154           155 
      1  -0.359173D+01  0.443589D+01 -0.127834D+02  0.108229D+00  0.738528D+00
      2  -0.627025D+01  0.149138D+01 -0.942630D+01 -0.548438D+01 -0.146128D+01
      3   0.986198D+01 -0.592726D+01  0.222097D+02  0.537615D+01  0.722756D+00
      4   0.249365D+00  0.183526D+01 -0.180937D+01  0.124925D+01  0.253187D+01
      5   0.126262D+02 -0.401718D+01  0.157500D+02 -0.949156D+01 -0.212345D+01
      6  -0.123333D+01  0.455970D+01 -0.290662D+01  0.790862D+00 -0.160233D+01
               156           157           158           159           160 
      1   0.273088D+01 -0.175644D+01 -0.242280D+01  0.646107D+01  0.321685D+01
      2   0.571380D+01 -0.636947D+00 -0.665846D+00  0.294143D+01  0.728962D+01
      3  -0.844468D+01  0.239339D+01  0.308865D+01 -0.940250D+01 -0.105065D+02
      4  -0.348603D+00  0.155015D+01  0.108277D+01 -0.123219D+01 -0.175103D+01
      5   0.119132D+02 -0.215820D+01 -0.242781D+01  0.360185D+01  0.126557D+02
      6  -0.152506D+01 -0.953593D+00 -0.242999D+01  0.147523D+01  0.159385D+00
               161           162           163           164           165 
      1   0.310811D+01 -0.217902D+02  0.896566D+01 -0.250183D+01 -0.829394D+01
      2   0.229168D+01 -0.158880D+02 -0.725716D+01  0.718335D+00  0.595626D+01
      3  -0.539979D+01  0.376782D+02 -0.170850D+01  0.178350D+01  0.233768D+01
      4  -0.333321D+01  0.188098D+01 -0.618854D+01  0.989672D+01  0.640759D+01
      5   0.385112D+01 -0.203673D+02 -0.150415D+02  0.461873D+01  0.150983D+02
      6   0.510475D+01  0.255997D+00  0.447870D+01 -0.188425D+01 -0.327992D+01
               166           167           168           169           170 
      1   0.359909D+01  0.123153D+01 -0.235747D+01 -0.160782D+02 -0.401391D+01
      2  -0.289135D+01  0.698470D+00  0.114425D+01  0.132303D+02  0.937168D+00
      3  -0.707742D+00 -0.193000D+01  0.121322D+01  0.284782D+01  0.307674D+01
      4   0.117740D+02 -0.985252D+01 -0.912056D+01  0.127001D+02 -0.150394D+02
      5   0.488142D+01 -0.905992D+01 -0.983545D+01  0.267888D+02 -0.182447D+02
      6  -0.330643D+01  0.618749D+01  0.901836D+01 -0.908276D+01  0.117094D+02
               171           172           173           174           175 
      1  -0.303573D+01  0.189880D+02 -0.939737D+01  0.629136D+01 -0.108456D+02
      2  -0.108801D+02 -0.388128D+01 -0.473446D+00 -0.169006D+01 -0.324466D+01
      3   0.139158D+02 -0.151067D+02  0.987082D+01 -0.460130D+01  0.140903D+02
      4  -0.214422D+02 -0.211082D+02  0.237664D+02 -0.557093D+01  0.310726D+02
      5  -0.469131D+02  0.904292D+01 -0.357699D+01  0.760718D+01 -0.509412D+01
      6   0.184571D+02 -0.302171D+01  0.704654D+00 -0.188410D+01  0.227977D+01
               176           177           178           179           180 
      1   0.374684D+01 -0.520115D+00  0.178333D+02 -0.325285D+00  0.247446D+01
      2   0.163269D+02 -0.413331D+01 -0.481628D+01 -0.685447D+01  0.189497D+00
      3  -0.200738D+02  0.465342D+01 -0.130170D+02  0.717975D+01 -0.266396D+01
      4  -0.435387D+02  0.118586D+02 -0.146812D+02  0.225239D+02 -0.136405D+02
      5   0.108160D+02 -0.902065D+01  0.105374D+02 -0.119529D+02  0.824081D+01
      6  -0.465663D+01  0.557519D+01 -0.440263D+01  0.628109D+01 -0.432134D+01
               181           182           183           184           185 
      1   0.137872D+03 -0.166670D+02 -0.155410D+02 -0.255234D+02  0.134108D+02
      2  -0.700217D+02  0.868872D+01  0.771322D+01  0.127034D+02 -0.512790D+01
      3  -0.678501D+02  0.797831D+01  0.782776D+01  0.128200D+02 -0.828289D+01
      4  -0.126235D+02  0.138115D+02  0.149990D+01  0.161805D+02 -0.867283D+01
      5  -0.179533D+02  0.212410D+01  0.164616D+02  0.201272D+01 -0.580678D+01
      6   0.633842D+00 -0.107090D+01  0.131072D+01 -0.123113D+01 -0.106886D+00
               186           187           188           189           190 
      1   0.264960D+01 -0.185699D+02  0.186328D+01  0.158407D+02 -0.470497D+02
      2  -0.194151D+01  0.103559D+02 -0.181617D+01 -0.966547D+01  0.231887D+02
      3  -0.708096D+00  0.821398D+01 -0.471088D-01 -0.617524D+01  0.238610D+02
      4  -0.535958D+01  0.318462D+00 -0.521349D+01 -0.103552D+00 -0.596033D+01
      5  -0.556759D+00  0.218426D+02 -0.379131D+00 -0.435263D+01 -0.114324D+02
      6   0.227813D+01  0.256097D+00  0.243082D+01  0.688808D+00  0.510291D+01
               191           192           193           194           195 
      1   0.847850D+01  0.127256D+02  0.558388D+01 -0.867956D+01 -0.580655D+01
      2  -0.510067D+01 -0.162806D+01 -0.289216D+01  0.527402D+01  0.358332D+01
      3  -0.337783D+01 -0.110975D+02 -0.269171D+01  0.340554D+01  0.222324D+01
      4  -0.375651D+01 -0.169645D+01  0.380380D+00  0.260775D+01  0.472874D+01
      5  -0.181126D+01 -0.793763D+01 -0.390475D+00  0.368423D+01  0.157064D+00
      6  -0.564385D+01 -0.661976D+01 -0.270959D+01  0.374822D+01  0.470585D+01
               196           197           198           199           200 
      1   0.823629D+01 -0.372277D+01 -0.965713D+01  0.313098D+02  0.194388D+02
      2  -0.139476D+01  0.191244D+01  0.112994D+01 -0.133823D+02 -0.473378D+01
      3  -0.684153D+01  0.181034D+01  0.852720D+01 -0.179275D+02 -0.147050D+02
      4  -0.259679D+00  0.313577D+01 -0.148724D+01  0.317487D+02  0.303284D+02
      5   0.645692D+00 -0.144884D+01  0.253411D+01  0.250006D+02  0.158963D+02
      6  -0.361380D+01  0.388314D+01  0.198122D+01  0.116818D+02  0.110579D+02
               201           202           203           204           205 
      1   0.119560D+02  0.244608D+02  0.143597D+02  0.547675D+01  0.697704D+01
      2  -0.858903D+01 -0.631744D+01  0.323997D+01 -0.291203D+01 -0.581341D+01
      3  -0.336694D+01 -0.181433D+02 -0.175997D+02 -0.256472D+01 -0.116364D+01
      4   0.126791D+02  0.381151D+02  0.470225D+02  0.221989D+02  0.931341D+01
      5   0.207481D+02  0.230829D+02  0.260434D+02  0.206950D+02  0.168594D+02
      6   0.767087D+01  0.144261D+02  0.200972D+02  0.143099D+02  0.675895D+01
               206           207           208           209           210 
      1   0.193205D+01  0.621085D+01  0.985625D+01 -0.611548D+01  0.113420D+02
      2  -0.163357D+01 -0.514680D+01 -0.856510D+01  0.555162D+01 -0.104537D+02
      3  -0.298484D+00 -0.106405D+01 -0.129115D+01  0.563854D+00 -0.888295D+00
      4   0.118551D+02  0.111803D+02 -0.666694D+01  0.120807D+02 -0.535763D+01
      5   0.116367D+02  0.135170D+02  0.161077D+02 -0.768931D+01  0.178411D+02
      6   0.986369D+01  0.702039D+01 -0.146344D+01  0.419134D+01 -0.163435D+01
               211           212           213           214           215 
      1  -0.118740D+02  0.608752D+01 -0.341739D+01  0.105659D+02 -0.130018D+01
      2   0.106847D+02 -0.848647D+01  0.142711D+02 -0.112024D+02  0.947948D+01
      3   0.118923D+01  0.239896D+01 -0.108537D+02  0.636534D+00 -0.817931D+01
      4   0.126247D+02 -0.259061D+02  0.203313D+02 -0.536137D+01  0.159221D+02
      5  -0.156576D+02  0.231420D+02 -0.320437D+02  0.187583D+02 -0.186084D+02
      6   0.485678D+01 -0.119367D+02  0.886666D+01 -0.218100D+01  0.911791D+01
               216           217           218           219           220 
      1   0.230993D+01  0.122453D+01  0.182192D+01 -0.802896D+01 -0.149346D+01
      2  -0.182732D+02 -0.278671D+01  0.554700D+00  0.670524D+01  0.273764D+01
      3   0.159632D+02  0.156217D+01 -0.237662D+01  0.132372D+01 -0.124419D+01
      4  -0.168229D+02  0.282538D+01  0.637414D+01 -0.260737D+01  0.406108D+01
      5   0.349552D+02 -0.103154D+02 -0.107596D+01  0.136202D+02  0.160622D+01
      6  -0.727096D+01 -0.248370D+01 -0.140596D+01  0.198723D+01 -0.783204D+00
               221           222           223           224           225 
      1   0.751473D+00 -0.100474D+00 -0.912883D+01  0.176913D+01 -0.112538D+02
      2  -0.191837D+01 -0.505900D+01  0.894818D+01 -0.413784D+01 -0.246751D+02
      3   0.116690D+01  0.515947D+01  0.180652D+00  0.236871D+01  0.359289D+02
      4  -0.643137D+00 -0.454783D+01 -0.510178D+01 -0.908480D+01  0.308822D+01
      5  -0.541613D+01 -0.105516D+02  0.170855D+02  0.226304D+01 -0.657557D+02
      6   0.352641D+00  0.273179D+01  0.425026D+01  0.736411D+01 -0.225563D+02
               226           227           228           229           230 
      1   0.246335D+02  0.180109D+02  0.174782D+01  0.184483D+02  0.982843D+01
      2  -0.265280D+00  0.568534D+01  0.186636D+00  0.710819D+01  0.261128D+02
      3  -0.243682D+02 -0.236963D+02 -0.193445D+01 -0.255565D+02 -0.359412D+02
      4   0.371010D+02  0.412707D+02 -0.155872D+01  0.443513D+02  0.650190D+02
      5  -0.363554D+01 -0.524729D+01  0.941155D+01 -0.549856D+01 -0.468216D+01
      6  -0.309271D+01 -0.475637D+01  0.534097D+01 -0.473529D+01 -0.818056D+01
               231           232           233           234           235 
      1  -0.251638D+00  0.654696D+01  0.161919D+01  0.333736D+01 -0.388105D+02
      2   0.101463D+01  0.264088D+00  0.500763D+01 -0.126803D+01  0.268161D+02
      3  -0.762990D+00 -0.681105D+01 -0.662682D+01 -0.206934D+01  0.119944D+02
      4  -0.146570D+01  0.772459D+01  0.124695D+02  0.681763D+01 -0.959301D+01
      5   0.721920D+01  0.683980D+01  0.534549D+01 -0.103921D+01  0.100138D+02
      6   0.630659D+01  0.393821D+01  0.429143D+01  0.515954D+00 -0.609047D+00
               236           237           238           239           240 
      1   0.156819D+02  0.295993D+00  0.153052D+02 -0.712314D+01 -0.409626D+00
      2  -0.144814D+02 -0.126313D+01 -0.951763D+01  0.111595D+02  0.459606D+00
      3  -0.120047D+01  0.967133D+00 -0.578757D+01 -0.403635D+01 -0.499801D-01
      4  -0.241974D+01  0.269150D+01  0.855448D+01  0.798011D+01 -0.268138D+00
      5  -0.198403D+00 -0.569905D+01 -0.374167D+01  0.101063D+01  0.134896D-01
      6   0.321610D+01 -0.474425D+01  0.221201D+00 -0.217194D+01  0.125009D+01
               241           242           243           244           245 
      1   0.443515D+01 -0.284463D+01 -0.531037D+01  0.213591D+01  0.376324D+01
      2  -0.296107D+01  0.354072D+01  0.278532D+00 -0.358557D+01 -0.193062D+01
      3  -0.147409D+01 -0.696095D+00  0.503184D+01  0.144966D+01 -0.183262D+01
      4   0.930198D+00  0.334177D+01 -0.157740D+01  0.623472D+01  0.643132D+01
      5  -0.126291D+01 -0.222019D+00 -0.257878D+01 -0.102787D+02 -0.240701D+01
      6  -0.241030D+01  0.123826D+01 -0.323337D+00 -0.419208D+01 -0.576707D+00
               246           247           248           249           250 
      1  -0.572431D+01  0.442306D+01 -0.105831D+00  0.201494D+01 -0.800400D+01
      2   0.426240D+01 -0.193223D+01  0.955202D+00 -0.127323D+01  0.738592D+01
      3   0.146191D+01 -0.249083D+01 -0.849371D+00 -0.741715D+00  0.618085D+00
      4  -0.330078D+01  0.977259D+01  0.627132D+01 -0.723513D+01 -0.590518D+01
      5   0.112743D+02 -0.340802D+01 -0.742160D+01  0.100297D+02  0.155747D+02
      6   0.242498D+01 -0.203664D+01 -0.575698D+01  0.756709D+01  0.399306D+01
               251           252           253           254           255 
      1   0.214520D+01 -0.445406D+01 -0.771624D+02 -0.355608D+01  0.792809D+01
      2   0.644798D+00 -0.926284D+01  0.391317D+02  0.898170D+01 -0.555276D+01
      3  -0.279000D+01  0.137169D+02  0.380306D+02 -0.542562D+01 -0.237533D+01
      4  -0.104435D+02  0.102711D+02 -0.758609D+01  0.231855D+02  0.995577D+01
      5   0.899565D+01 -0.340119D+02  0.115578D+02  0.721964D+01  0.132064D+02
      6   0.742220D+01 -0.123873D+02  0.839513D+01  0.542289D+01  0.474549D+01
               256           257           258           259           260 
      1   0.151327D+02  0.323153D+02  0.262774D+01  0.276209D+02  0.346142D+01
      2  -0.448734D+01 -0.363383D+02 -0.644315D+01 -0.119703D+02 -0.302355D+01
      3  -0.106454D+02  0.402297D+01  0.381541D+01 -0.156506D+02 -0.437877D+00
      4   0.254659D+02 -0.267799D+02  0.490456D+01  0.196384D+02  0.138700D+02
      5   0.114046D+02  0.746461D+01  0.167949D+02  0.191088D+02  0.185152D+02
      6   0.577399D+01 -0.389464D+01  0.553275D+01  0.805309D+01  0.762619D+01
               261           262           263           264           265 
      1   0.146285D+02  0.646971D+01 -0.795122D+01  0.241033D+01 -0.678853D+01
      2   0.563829D+01  0.177230D+01 -0.103976D+01 -0.815590D-01 -0.792509D+01
      3  -0.202668D+02 -0.824201D+01  0.899098D+01 -0.232877D+01  0.147136D+02
      4   0.216409D+02 -0.136036D+02  0.168573D+02 -0.381701D+01  0.274522D+02
      5  -0.184374D+02  0.484430D+01 -0.405922D+01  0.345779D+01 -0.740844D+01
      6  -0.301105D+01 -0.308890D+01  0.291908D+01 -0.144278D+01  0.578917D+01
               266           267           268           269           270 
      1  -0.527879D+01  0.616802D+00  0.410883D+00  0.962022D+00 -0.706325D+00
      2   0.333509D+02 -0.557164D+01 -0.197795D+01  0.343645D+01  0.145656D+01
      3  -0.280721D+02  0.495484D+01  0.156706D+01 -0.439847D+01 -0.750232D+00
      4  -0.593566D+02  0.124906D+02  0.176870D+01 -0.368017D+01 -0.401380D+01
      5   0.134737D+02 -0.106599D+02  0.289985D+01 -0.409875D+01  0.462569D+01
      6  -0.140764D+02  0.785912D+01 -0.169106D+01  0.445176D+01 -0.301507D+01
               271           272           273           274           275 
      1   0.439316D+01 -0.689296D+00  0.523157D+01 -0.740637D+01 -0.560276D+01
      2  -0.500677D+01 -0.715961D+00 -0.188417D+01  0.377256D+01  0.268641D+01
      3   0.613610D+00  0.140526D+01 -0.334740D+01  0.363381D+01  0.291635D+01
      4  -0.209827D+01 -0.350430D+01 -0.390155D+00 -0.326222D+01 -0.215555D+01
      5   0.255414D+01 -0.172599D+01 -0.142629D+00 -0.461336D+01  0.338077D+01
      6  -0.638700D+00 -0.163564D+01 -0.121573D+01 -0.938614D+00 -0.319761D+00
               276           277           278           279           280 
      1  -0.433517D+00  0.109007D+02 -0.875025D-01 -0.112399D+02  0.124700D+03
      2   0.479443D+01 -0.722101D+01  0.420399D+01 -0.153619D+02 -0.595885D+02
      3  -0.436091D+01 -0.367967D+01 -0.411648D+01  0.266018D+02 -0.651120D+02
      4   0.364722D+01  0.470735D+01  0.913115D+01 -0.308353D+01  0.382870D+02
      5  -0.927234D+01  0.105304D+02 -0.224053D+01  0.425673D+02  0.944339D+01
      6   0.962643D+00  0.175266D+01  0.396462D+01  0.121528D+02 -0.626025D+00
               281           282           283           284           285 
      1   0.842055D+01 -0.139551D+01 -0.697768D+01  0.694965D+01 -0.179691D+00
      2  -0.688633D+00 -0.216129D+00  0.607657D+01 -0.457533D+00  0.545117D+00
      3  -0.773192D+01  0.161164D+01  0.901108D+00 -0.649212D+01 -0.365426D+00
      4   0.171332D+02  0.919162D+00  0.117644D+02  0.522415D+01 -0.117808D+01
      5   0.149125D+01  0.129523D+02 -0.135151D+01 -0.806910D+00 -0.244451D+01
      6   0.169326D+01  0.348361D+01  0.484721D+00  0.370340D+00  0.106503D+00
               286           287           288           289           290 
      1  -0.162393D+02 -0.154021D+01  0.866617D+01  0.136508D+01  0.121465D+02
      2   0.664295D+01 -0.119929D+00 -0.640918D+01  0.230386D+01 -0.121721D+02
      3   0.959632D+01  0.166014D+01 -0.225699D+01 -0.366894D+01  0.255270D-01
      4  -0.675937D+01 -0.460306D+01  0.988101D+00  0.379057D+01 -0.530733D+01
      5   0.116572D+02 -0.788495D+00 -0.848535D+00 -0.176213D+01 -0.496489D+00
      6   0.292930D+01  0.481113D+00 -0.608569D+00 -0.139467D+00 -0.244302D+01
               291           292           293           294           295 
      1   0.272015D-01  0.110660D+02 -0.296474D+02 -0.266054D+01 -0.411330D+01
      2  -0.882629D-01 -0.337892D+01  0.512860D+02  0.276937D+01  0.116840D+01
      3   0.610614D-01 -0.768713D+01 -0.216386D+02 -0.108828D+00  0.294489D+01
      4  -0.198220D+01  0.120897D+02  0.580565D+02  0.586047D+01 -0.327237D+01
      5  -0.254013D+01  0.296914D+01  0.347908D+01  0.713970D+01 -0.274077D+00
      6  -0.220785D+01  0.784927D+00  0.112215D+02  0.760276D+01 -0.309651D+00
               296           297 
      1  -0.102928D+01 -0.548012D+01
      2  -0.150244D+01  0.396127D+01
      3   0.253172D+01  0.151885D+01
      4  -0.391763D+01  0.347381D+01
      5   0.434191D+01  0.203912D+01
      6   0.641284D+01  0.111752D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:25:33 2021, MaxMem=  6442450944 cpu:           51425.8 elap:            6429.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31939 -19.26024 -10.44037 -10.32629 -10.31530
 Alpha  occ. eigenvalues --  -10.30878 -10.30382 -10.30334 -10.30256 -10.30118
 Alpha  occ. eigenvalues --  -10.30087 -10.30072 -10.29763 -10.28319 -10.28273
 Alpha  occ. eigenvalues --   -1.20940  -1.11569  -0.96740  -0.92077  -0.89438
 Alpha  occ. eigenvalues --   -0.84368  -0.83962  -0.77891  -0.77503  -0.76046
 Alpha  occ. eigenvalues --   -0.71581  -0.69906  -0.67321  -0.64752  -0.60401
 Alpha  occ. eigenvalues --   -0.58782  -0.57284  -0.56632  -0.55786  -0.54671
 Alpha  occ. eigenvalues --   -0.53698  -0.52132  -0.51788  -0.51248  -0.50681
 Alpha  occ. eigenvalues --   -0.50217  -0.47842  -0.47006  -0.46610  -0.45825
 Alpha  occ. eigenvalues --   -0.45567  -0.44357  -0.43457  -0.42000  -0.41622
 Alpha  occ. eigenvalues --   -0.41591  -0.41106  -0.39778  -0.37171  -0.33533
 Alpha  occ. eigenvalues --   -0.31819
 Alpha virt. eigenvalues --    0.04268   0.05164   0.07320   0.08211   0.08947
 Alpha virt. eigenvalues --    0.10184   0.10692   0.11471   0.11943   0.12333
 Alpha virt. eigenvalues --    0.13074   0.14078   0.14440   0.15235   0.15987
 Alpha virt. eigenvalues --    0.16228   0.16640   0.17345   0.18070   0.18570
 Alpha virt. eigenvalues --    0.18867   0.19538   0.20054   0.20286   0.20393
 Alpha virt. eigenvalues --    0.21137   0.21573   0.22167   0.22452   0.22817
 Alpha virt. eigenvalues --    0.23389   0.24298   0.24712   0.24874   0.25263
 Alpha virt. eigenvalues --    0.26088   0.26429   0.26557   0.26768   0.27600
 Alpha virt. eigenvalues --    0.27809   0.28510   0.28745   0.29876   0.30115
 Alpha virt. eigenvalues --    0.30924   0.31507   0.31881   0.32020   0.32967
 Alpha virt. eigenvalues --    0.33365   0.33881   0.34181   0.34862   0.35238
 Alpha virt. eigenvalues --    0.35460   0.35791   0.36418   0.36964   0.37104
 Alpha virt. eigenvalues --    0.37850   0.38155   0.38423   0.38917   0.39621
 Alpha virt. eigenvalues --    0.39942   0.40253   0.40416   0.40628   0.41043
 Alpha virt. eigenvalues --    0.41617   0.42004   0.42035   0.42512   0.42927
 Alpha virt. eigenvalues --    0.43723   0.43919   0.44145   0.44179   0.44580
 Alpha virt. eigenvalues --    0.44695   0.45125   0.45386   0.45916   0.45973
 Alpha virt. eigenvalues --    0.46509   0.46738   0.47020   0.47253   0.47662
 Alpha virt. eigenvalues --    0.47839   0.48007   0.48198   0.48701   0.49131
 Alpha virt. eigenvalues --    0.49968   0.50340   0.50882   0.51026   0.51449
 Alpha virt. eigenvalues --    0.52156   0.52257   0.52702   0.52971   0.53356
 Alpha virt. eigenvalues --    0.53398   0.54063   0.54402   0.54648   0.55119
 Alpha virt. eigenvalues --    0.55829   0.56627   0.56756   0.57034   0.57474
 Alpha virt. eigenvalues --    0.58054   0.58495   0.58836   0.59391   0.59456
 Alpha virt. eigenvalues --    0.59854   0.60358   0.60666   0.60972   0.61743
 Alpha virt. eigenvalues --    0.62172   0.62456   0.63010   0.63136   0.63616
 Alpha virt. eigenvalues --    0.63945   0.64534   0.64884   0.65671   0.65845
 Alpha virt. eigenvalues --    0.66445   0.66679   0.67327   0.67401   0.67739
 Alpha virt. eigenvalues --    0.68254   0.68830   0.69078   0.69918   0.70056
 Alpha virt. eigenvalues --    0.70824   0.71290   0.71912   0.72411   0.72823
 Alpha virt. eigenvalues --    0.73839   0.74296   0.74942   0.75498   0.75882
 Alpha virt. eigenvalues --    0.76219   0.77004   0.77321   0.77681   0.78411
 Alpha virt. eigenvalues --    0.79182   0.80044   0.80239   0.81280   0.81821
 Alpha virt. eigenvalues --    0.81969   0.82691   0.83525   0.84266   0.84762
 Alpha virt. eigenvalues --    0.85768   0.86113   0.86549   0.87425   0.87697
 Alpha virt. eigenvalues --    0.88778   0.89141   0.90466   0.91550   0.92255
 Alpha virt. eigenvalues --    0.93540   0.94036   0.96170   0.96665   0.97821
 Alpha virt. eigenvalues --    0.98287   0.98527   0.99684   1.01206   1.01509
 Alpha virt. eigenvalues --    1.02469   1.02940   1.03715   1.04772   1.05851
 Alpha virt. eigenvalues --    1.06172   1.07878   1.08700   1.09489   1.10304
 Alpha virt. eigenvalues --    1.10856   1.11251   1.12000   1.12477   1.13851
 Alpha virt. eigenvalues --    1.14428   1.14850   1.15041   1.15567   1.16108
 Alpha virt. eigenvalues --    1.17106   1.17691   1.18079   1.19139   1.20515
 Alpha virt. eigenvalues --    1.22129   1.23055   1.24777   1.25017   1.26536
 Alpha virt. eigenvalues --    1.27178   1.28076   1.29161   1.29617   1.30439
 Alpha virt. eigenvalues --    1.31870   1.33055   1.33444   1.34085   1.34660
 Alpha virt. eigenvalues --    1.35534   1.37372   1.37644   1.38553   1.39355
 Alpha virt. eigenvalues --    1.40049   1.42495   1.44267   1.44564   1.45517
 Alpha virt. eigenvalues --    1.46346   1.48316   1.50518   1.51184   1.52419
 Alpha virt. eigenvalues --    1.53573   1.54046   1.55265   1.57535   1.58591
 Alpha virt. eigenvalues --    1.59580   1.60636   1.61997   1.64509   1.65530
 Alpha virt. eigenvalues --    1.66978   1.68945   1.69668   1.69844   1.70407
 Alpha virt. eigenvalues --    1.73669   1.73864   1.75572   1.76488   1.77368
 Alpha virt. eigenvalues --    1.80009   1.80411   1.82044   1.82413   1.84160
 Alpha virt. eigenvalues --    1.84660   1.86469   1.86559   1.87954   1.88480
 Alpha virt. eigenvalues --    1.89324   1.90387   1.90853   1.92299   1.92526
 Alpha virt. eigenvalues --    1.94640   1.95851   1.96940   1.97945   1.98284
 Alpha virt. eigenvalues --    1.99001   1.99683   2.00081   2.01871   2.03673
 Alpha virt. eigenvalues --    2.04630   2.04927   2.05739   2.06537   2.06884
 Alpha virt. eigenvalues --    2.07804   2.08209   2.10163   2.10209   2.11071
 Alpha virt. eigenvalues --    2.12196   2.13968   2.14277   2.14872   2.15629
 Alpha virt. eigenvalues --    2.16068   2.18188   2.19704   2.20915   2.22564
 Alpha virt. eigenvalues --    2.22913   2.23520   2.24793   2.25164   2.25708
 Alpha virt. eigenvalues --    2.27175   2.28770   2.28959   2.29714   2.32119
 Alpha virt. eigenvalues --    2.32294   2.34313   2.34636   2.35580   2.36427
 Alpha virt. eigenvalues --    2.37736   2.39486   2.40986   2.43684   2.45489
 Alpha virt. eigenvalues --    2.46526   2.47666   2.49956   2.50701   2.52016
 Alpha virt. eigenvalues --    2.52347   2.53357   2.55585   2.55952   2.57288
 Alpha virt. eigenvalues --    2.58808   2.60717   2.63104   2.64577   2.65717
 Alpha virt. eigenvalues --    2.67693   2.69428   2.70311   2.71400   2.72744
 Alpha virt. eigenvalues --    2.73673   2.76302   2.76955   2.77514   2.78359
 Alpha virt. eigenvalues --    2.79044   2.80665   2.82131   2.83661   2.88167
 Alpha virt. eigenvalues --    2.93559   2.95134   2.96819   2.97865   3.01104
 Alpha virt. eigenvalues --    3.02261   3.02617   3.03585   3.08308   3.09524
 Alpha virt. eigenvalues --    3.10660   3.14013   3.14633   3.16419   3.16796
 Alpha virt. eigenvalues --    3.17986   3.19067   3.21008   3.22739   3.24597
 Alpha virt. eigenvalues --    3.24988   3.28092   3.29891   3.30837   3.32869
 Alpha virt. eigenvalues --    3.33927   3.34370   3.36044   3.46752   3.47998
 Alpha virt. eigenvalues --    3.70696   3.76231   3.92282   4.04828
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.160860  -1.772394  -1.532162   1.063552   0.230033   0.040465
     2  C   -1.772394  13.329372   0.790678  -0.742606   0.742943  -1.505328
     3  C   -1.532162   0.790678   9.716131  -1.435964  -0.077255   0.152091
     4  C    1.063552  -0.742606  -1.435964  12.259302  -1.802384   0.740628
     5  C    0.230033   0.742943  -0.077255  -1.802384   9.308726  -1.479778
     6  C    0.040465  -1.505328   0.152091   0.740628  -1.479778   9.173984
     7  C   -1.272054   0.682124   0.054063   0.123856   0.040285  -1.251784
     8  C   -0.100741   0.249218   0.014953  -0.001416   0.015319  -0.096108
     9  C   -0.048311  -0.060367   0.004931  -0.004037   0.000964   0.003929
    10  C    0.011991  -0.070193  -0.000433  -0.004487   0.002542  -0.030928
    11  C    0.066514   0.124032  -1.087586   0.423837  -0.910448   0.049957
    12  C   -0.013863   0.005560  -0.028760  -0.042438   0.028863  -0.033149
    13  O    0.006032  -0.001675  -0.041983   0.035590  -0.038300   0.001633
    14  O    0.005193   0.003206  -0.023616   0.032442  -0.114642   0.033850
    15  H    0.887420  -1.852077  -0.931741   0.038028   0.139219   0.071480
    16  H   -0.872422  -0.001240   0.714642  -1.708247   0.146258   0.172175
    17  H    0.137271  -0.030215   0.080891  -1.475029   0.743841  -0.663754
    18  H    0.106908  -1.877247   0.138746   0.072577  -0.856737   0.655494
    19  H    0.098837  -0.087348   0.006058  -0.000607   0.001201   0.006138
    20  H    0.015619  -0.055320  -0.005527  -0.002774   0.006363   0.089031
    21  H    0.046841   0.045988  -0.002050  -0.000181  -0.002277   0.047223
    22  H   -0.001657   0.036150   0.007779   0.001431   0.002064  -0.002885
    23  H    0.003646   0.009863   0.000031   0.000203  -0.000454   0.000777
    24  H    0.013095  -0.060314  -0.006037  -0.000608   0.000381   0.002018
    25  H    0.002027  -0.062092   0.000325  -0.000678  -0.006745   0.017838
    26  H   -0.000291   0.011202  -0.000425   0.000273   0.000768  -0.000859
    27  H    0.000432   0.028113   0.002685   0.001363   0.001540   0.013934
    28  H    0.008922  -0.002834  -0.086456  -0.281950   0.102117   0.015649
    29  C    0.001878   0.003305  -0.008734  -0.070195  -0.042331  -0.005401
    30  H   -0.000198  -0.000058   0.002264  -0.013672   0.009653  -0.001973
    31  H    0.000514   0.001065  -0.006200   0.004307  -0.011069   0.004525
    32  H   -0.000011  -0.000169  -0.011968   0.000188   0.000119  -0.001332
    33  H   -0.001262   0.002378   0.025237  -0.034428  -0.019632   0.000853
               7          8          9         10         11         12
     1  C   -1.272054  -0.100741  -0.048311   0.011991   0.066514  -0.013863
     2  C    0.682124   0.249218  -0.060367  -0.070193   0.124032   0.005560
     3  C    0.054063   0.014953   0.004931  -0.000433  -1.087586  -0.028760
     4  C    0.123856  -0.001416  -0.004037  -0.004487   0.423837  -0.042438
     5  C    0.040285   0.015319   0.000964   0.002542  -0.910448   0.028863
     6  C   -1.251784  -0.096108   0.003929  -0.030928   0.049957  -0.033149
     7  C    7.398169   0.152847   0.056303   0.042093  -0.003627   0.000073
     8  C    0.152847   5.676475   0.352274   0.355588  -0.000144   0.000334
     9  C    0.056303   0.352274   4.289261  -0.019953  -0.000213  -0.000080
    10  C    0.042093   0.355588  -0.019953   4.287607   0.000024  -0.000070
    11  C   -0.003627  -0.000144  -0.000213   0.000024   7.515959   0.270093
    12  C    0.000073   0.000334  -0.000080  -0.000070   0.270093   4.824980
    13  O    0.000002  -0.000044   0.000009   0.000001  -0.023938   0.178995
    14  O   -0.000178  -0.000077   0.000014  -0.000001  -0.098157   0.043469
    15  H   -0.552691  -0.062367  -0.033487   0.005235   0.027860  -0.000885
    16  H    0.019686   0.004559   0.000005  -0.000718  -0.503408  -0.026404
    17  H    0.020225   0.004698  -0.000597  -0.000564  -0.336489   0.028135
    18  H   -0.544434  -0.069546   0.003701  -0.027318   0.006317  -0.005319
    19  H    0.057472   0.046752  -0.007264   0.016318  -0.000039   0.000019
    20  H    0.044903   0.049804   0.019371  -0.006187  -0.000090  -0.000022
    21  H   -0.209039   0.320960  -0.048885  -0.045758   0.000003  -0.000001
    22  H   -0.073267   0.131163   0.156550  -0.010586  -0.000094   0.000080
    23  H    0.029168   0.160235   0.192288  -0.011811   0.000004   0.000000
    24  H   -0.071304   0.077218   0.304554   0.004707  -0.000005  -0.000013
    25  H   -0.077103   0.082242   0.004369   0.295779   0.000005  -0.000017
    26  H    0.037042   0.154907  -0.010648   0.200737   0.000010  -0.000001
    27  H   -0.084980   0.131398  -0.010764   0.151476   0.000007   0.000048
    28  H   -0.000007  -0.000009  -0.000038   0.000015   0.135620  -0.056551
    29  C   -0.000181  -0.000021   0.000003  -0.000002   0.395290   0.026841
    30  H   -0.000001   0.000001   0.000000  -0.000001   0.027030   0.088009
    31  H   -0.000013   0.000003  -0.000000  -0.000001   0.097662  -0.020679
    32  H    0.000001   0.000000  -0.000000  -0.000000   0.159034  -0.002881
    33  H   -0.000002  -0.000001   0.000000  -0.000000   0.138883   0.015095
              13         14         15         16         17         18
     1  C    0.006032   0.005193   0.887420  -0.872422   0.137271   0.106908
     2  C   -0.001675   0.003206  -1.852077  -0.001240  -0.030215  -1.877247
     3  C   -0.041983  -0.023616  -0.931741   0.714642   0.080891   0.138746
     4  C    0.035590   0.032442   0.038028  -1.708247  -1.475029   0.072577
     5  C   -0.038300  -0.114642   0.139219   0.146258   0.743841  -0.856737
     6  C    0.001633   0.033850   0.071480   0.172175  -0.663754   0.655494
     7  C    0.000002  -0.000178  -0.552691   0.019686   0.020225  -0.544434
     8  C   -0.000044  -0.000077  -0.062367   0.004559   0.004698  -0.069546
     9  C    0.000009   0.000014  -0.033487   0.000005  -0.000597   0.003701
    10  C    0.000001  -0.000001   0.005235  -0.000718  -0.000564  -0.027318
    11  C   -0.023938  -0.098157   0.027860  -0.503408  -0.336489   0.006317
    12  C    0.178995   0.043469  -0.000885  -0.026404   0.028135  -0.005319
    13  O    8.475935  -0.020910   0.000602  -0.015547  -0.011222   0.000783
    14  O   -0.020910   8.325340   0.000440  -0.004669  -0.028773   0.007009
    15  H    0.000602   0.000440   3.544270  -0.977808  -0.021807   0.081570
    16  H   -0.015547  -0.004669  -0.977808   3.379677   0.055067  -0.026166
    17  H   -0.011222  -0.028773  -0.021807   0.055067   2.908877  -0.824789
    18  H    0.000783   0.007009   0.081570  -0.026166  -0.824789   3.584385
    19  H    0.000000  -0.000007   0.017388  -0.000376  -0.000073   0.016842
    20  H    0.000005  -0.000001   0.024244  -0.001503  -0.000228   0.015101
    21  H   -0.000000   0.000001   0.013264  -0.000111  -0.000122   0.013414
    22  H   -0.000005  -0.000007  -0.001092   0.002270  -0.000104   0.000794
    23  H    0.000001   0.000001  -0.001186  -0.000001  -0.000004   0.000245
    24  H   -0.000000   0.000002   0.005125  -0.000947  -0.000012   0.000784
    25  H    0.000001   0.000007   0.000735  -0.000012  -0.001231   0.007589
    26  H   -0.000001  -0.000001   0.000082  -0.000000   0.000076  -0.002973
    27  H   -0.000018   0.000086   0.001576  -0.000074   0.001283   0.003889
    28  H   -0.049348  -0.005542  -0.001663   0.006861   0.016340  -0.000290
    29  C    0.006022   0.014965   0.001405  -0.031165   0.001152   0.002106
    30  H   -0.065082   0.174162  -0.000003   0.000216   0.003000  -0.000214
    31  H    0.000201   0.031576   0.000109  -0.001665  -0.010367   0.001274
    32  H    0.001445  -0.014011   0.000015  -0.003260   0.001424  -0.000087
    33  H   -0.003201   0.004997  -0.000317   0.008953  -0.015978   0.000739
              19         20         21         22         23         24
     1  C    0.098837   0.015619   0.046841  -0.001657   0.003646   0.013095
     2  C   -0.087348  -0.055320   0.045988   0.036150   0.009863  -0.060314
     3  C    0.006058  -0.005527  -0.002050   0.007779   0.000031  -0.006037
     4  C   -0.000607  -0.002774  -0.000181   0.001431   0.000203  -0.000608
     5  C    0.001201   0.006363  -0.002277   0.002064  -0.000454   0.000381
     6  C    0.006138   0.089031   0.047223  -0.002885   0.000777   0.002018
     7  C    0.057472   0.044903  -0.209039  -0.073267   0.029168  -0.071304
     8  C    0.046752   0.049804   0.320960   0.131163   0.160235   0.077218
     9  C   -0.007264   0.019371  -0.048885   0.156550   0.192288   0.304554
    10  C    0.016318  -0.006187  -0.045758  -0.010586  -0.011811   0.004707
    11  C   -0.000039  -0.000090   0.000003  -0.000094   0.000004  -0.000005
    12  C    0.000019  -0.000022  -0.000001   0.000080   0.000000  -0.000013
    13  O    0.000000   0.000005  -0.000000  -0.000005   0.000001  -0.000000
    14  O   -0.000007  -0.000001   0.000001  -0.000007   0.000001   0.000002
    15  H    0.017388   0.024244   0.013264  -0.001092  -0.001186   0.005125
    16  H   -0.000376  -0.001503  -0.000111   0.002270  -0.000001  -0.000947
    17  H   -0.000073  -0.000228  -0.000122  -0.000104  -0.000004  -0.000012
    18  H    0.016842   0.015101   0.013414   0.000794   0.000245   0.000784
    19  H    0.934534  -0.243211  -0.017107   0.006234   0.000779  -0.008980
    20  H   -0.243211   0.912448  -0.017456  -0.012580  -0.005222   0.038351
    21  H   -0.017107  -0.017456   1.196272   0.008700   0.017661  -0.015530
    22  H    0.006234  -0.012580   0.008700   0.700221  -0.092653   0.031644
    23  H    0.000779  -0.005222   0.017661  -0.092653   0.961418  -0.154758
    24  H   -0.008980   0.038351  -0.015530   0.031644  -0.154758   0.827511
    25  H    0.037814  -0.009065  -0.013551  -0.003260   0.005454  -0.003434
    26  H   -0.005275   0.001125   0.014808  -0.017900   0.006843   0.005652
    27  H   -0.011401   0.005621   0.009896   0.028546  -0.017420  -0.003748
    28  H    0.000004  -0.000002   0.000000   0.000003   0.000000  -0.000001
    29  C   -0.000008   0.000012   0.000000   0.000001  -0.000000   0.000000
    30  H   -0.000000   0.000000   0.000000   0.000000  -0.000000   0.000000
    31  H    0.000000   0.000001  -0.000000  -0.000000   0.000000  -0.000000
    32  H    0.000000   0.000000  -0.000000  -0.000000  -0.000000  -0.000000
    33  H   -0.000003  -0.000000  -0.000000   0.000000   0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.002027  -0.000291   0.000432   0.008922   0.001878  -0.000198
     2  C   -0.062092   0.011202   0.028113  -0.002834   0.003305  -0.000058
     3  C    0.000325  -0.000425   0.002685  -0.086456  -0.008734   0.002264
     4  C   -0.000678   0.000273   0.001363  -0.281950  -0.070195  -0.013672
     5  C   -0.006745   0.000768   0.001540   0.102117  -0.042331   0.009653
     6  C    0.017838  -0.000859   0.013934   0.015649  -0.005401  -0.001973
     7  C   -0.077103   0.037042  -0.084980  -0.000007  -0.000181  -0.000001
     8  C    0.082242   0.154907   0.131398  -0.000009  -0.000021   0.000001
     9  C    0.004369  -0.010648  -0.010764  -0.000038   0.000003   0.000000
    10  C    0.295779   0.200737   0.151476   0.000015  -0.000002  -0.000001
    11  C    0.000005   0.000010   0.000007   0.135620   0.395290   0.027030
    12  C   -0.000017  -0.000001   0.000048  -0.056551   0.026841   0.088009
    13  O    0.000001  -0.000001  -0.000018  -0.049348   0.006022  -0.065082
    14  O    0.000007  -0.000001   0.000086  -0.005542   0.014965   0.174162
    15  H    0.000735   0.000082   0.001576  -0.001663   0.001405  -0.000003
    16  H   -0.000012  -0.000000  -0.000074   0.006861  -0.031165   0.000216
    17  H   -0.001231   0.000076   0.001283   0.016340   0.001152   0.003000
    18  H    0.007589  -0.002973   0.003889  -0.000290   0.002106  -0.000214
    19  H    0.037814  -0.005275  -0.011401   0.000004  -0.000008  -0.000000
    20  H   -0.009065   0.001125   0.005621  -0.000002   0.000012   0.000000
    21  H   -0.013551   0.014808   0.009896   0.000000   0.000000   0.000000
    22  H   -0.003260  -0.017900   0.028546   0.000003   0.000001   0.000000
    23  H    0.005454   0.006843  -0.017420   0.000000  -0.000000  -0.000000
    24  H   -0.003434   0.005652  -0.003748  -0.000001   0.000000   0.000000
    25  H    0.823829  -0.156839   0.034842   0.000000   0.000001   0.000000
    26  H   -0.156839   0.975111  -0.095679  -0.000000  -0.000000   0.000000
    27  H    0.034842  -0.095679   0.698670  -0.000002   0.000002   0.000002
    28  H    0.000000  -0.000000  -0.000002   1.301389  -0.173086   0.000506
    29  C    0.000001  -0.000000   0.000002  -0.173086   4.230607   0.003763
    30  H    0.000000   0.000000   0.000002   0.000506   0.003763   0.676365
    31  H   -0.000000  -0.000000  -0.000001  -0.002961   0.304580  -0.000279
    32  H   -0.000000   0.000000   0.000000   0.003303   0.210619   0.001524
    33  H    0.000000  -0.000000  -0.000000   0.017733   0.192628  -0.000236
              31         32         33
     1  C    0.000514  -0.000011  -0.001262
     2  C    0.001065  -0.000169   0.002378
     3  C   -0.006200  -0.011968   0.025237
     4  C    0.004307   0.000188  -0.034428
     5  C   -0.011069   0.000119  -0.019632
     6  C    0.004525  -0.001332   0.000853
     7  C   -0.000013   0.000001  -0.000002
     8  C    0.000003   0.000000  -0.000001
     9  C   -0.000000  -0.000000   0.000000
    10  C   -0.000001  -0.000000  -0.000000
    11  C    0.097662   0.159034   0.138883
    12  C   -0.020679  -0.002881   0.015095
    13  O    0.000201   0.001445  -0.003201
    14  O    0.031576  -0.014011   0.004997
    15  H    0.000109   0.000015  -0.000317
    16  H   -0.001665  -0.003260   0.008953
    17  H   -0.010367   0.001424  -0.015978
    18  H    0.001274  -0.000087   0.000739
    19  H    0.000000   0.000000  -0.000003
    20  H    0.000001   0.000000  -0.000000
    21  H   -0.000000  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000000
    23  H    0.000000  -0.000000   0.000000
    24  H   -0.000000  -0.000000   0.000000
    25  H   -0.000000  -0.000000   0.000000
    26  H   -0.000000   0.000000  -0.000000
    27  H   -0.000001   0.000000  -0.000000
    28  H   -0.002961   0.003303   0.017733
    29  C    0.304580   0.210619   0.192628
    30  H   -0.000279   0.001524  -0.000236
    31  H    0.628969  -0.002672  -0.004556
    32  H   -0.002672   0.663160  -0.044769
    33  H   -0.004556  -0.044769   0.665278
 Mulliken charges:
               1
     1  C   -0.292684
     2  C   -1.883718
     3  C   -0.424607
     4  C   -1.175875
     5  C   -0.161149
     6  C   -0.220392
     7  C    1.382352
     8  C   -1.650475
     9  C    0.856116
    10  C    0.854898
    11  C   -0.473901
    12  C    0.720536
    13  O   -0.435983
    14  O   -0.366167
    15  H    0.577055
    16  H    0.665373
    17  H    0.419078
    18  H    0.514851
    19  H    0.135307
    20  H    0.137189
    21  H   -0.362963
    22  H    0.102460
    23  H   -0.105109
    24  H    0.014649
    25  H    0.021168
    26  H   -0.117742
    27  H    0.108681
    28  H    0.052276
    29  C    0.935943
    30  H    0.095221
    31  H   -0.014324
    32  H    0.040327
    33  H    0.051609
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.284371
     2  C   -1.883718
     3  C    0.240766
     4  C   -1.175875
     5  C    0.257929
     6  C    0.294458
     7  C    1.654848
     8  C   -2.013438
     9  C    0.868115
    10  C    0.867005
    11  C   -0.421624
    12  C    0.720536
    13  O   -0.435983
    14  O   -0.270946
    29  C    1.013556
 Electronic spatial extent (au):  <R**2>=           4250.2021
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8832    Y=             -0.7884    Z=             -1.6131  Tot=              2.0009
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -86.8573   YY=            -90.9094   ZZ=            -92.9782
   XY=              1.7050   XZ=              5.6788   YZ=             -6.7254
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.3910   YY=             -0.6611   ZZ=             -2.7299
   XY=              1.7050   XZ=              5.6788   YZ=             -6.7254
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.7661  YYY=             29.1383  ZZZ=             -6.7513  XYY=            -18.2062
  XXY=             -3.9421  XXZ=            -21.1998  XZZ=              6.5562  YZZ=             -6.6955
  YYZ=             -5.9975  XYZ=             16.7281
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4231.4156 YYYY=           -723.8018 ZZZZ=           -633.4444 XXXY=            -22.8148
 XXXZ=             68.7395 YYYX=            -76.8241 YYYZ=            -28.2709 ZZZX=              6.6129
 ZZZY=            -22.6309 XXYY=           -794.0647 XXZZ=           -871.6177 YYZZ=           -242.2522
 XXYZ=            -60.1991 YYXZ=             44.0733 ZZXY=              4.9439
 N-N= 9.839470857417D+02 E-N=-3.490306146792D+03  KE= 6.487237017870D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:25:34 2021, MaxMem=  6442450944 cpu:               4.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4114    0.4086       -0.6915   -0.6937
 2     -0.4114   -0.4086        3.2928    3.2945      -35.9107  -35.9098
 3      0.6915    0.6937       26.5481   26.5459       -3.2949   -3.2945
 4     -3.2928   -3.2945        0.0000    0.0000        0.6932    0.6937
 5      9.3626    9.3639       -0.6932   -0.6937        0.4111    0.4086
 6      3.2949    3.2945       -0.4111   -0.4086       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.2258   -1.2258       -2.0811   -2.0811
 2     -9.8836   -9.8836       -0.0000    0.0000       -2.0811   -2.0811
 3     -9.8836   -9.8836       -1.2258   -1.2258       -0.0000    0.0000
 4     -1.2258   -1.2258        9.8836    9.8836     -107.7294 -107.7294
 5      2.0811    2.0811       79.6376   79.6376       -9.8836   -9.8836
 6     28.0917   28.0917       -2.0811   -2.0811        1.2258    1.2258
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.8444    0.0000       -1.7260   -1.6344        2.1226    2.7748
 2     -0.0434    1.6344      -15.7829  -13.1781      141.9524  143.6391
 3     -2.0824   -2.7748     -106.9085 -106.1835       13.6862   13.1781
 4     13.8823   13.1781        0.3756    0.0000       -3.0875   -2.7748
 5    -37.0742  -37.4556        2.4565    2.7748       -1.0573   -1.6344
 6    -13.0602  -13.1781        1.4579    1.6344       -0.1552    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.7736    0.0000      -93.7206  -95.3349       -0.0308   -2.5845
 2     96.9445   95.3349        9.4027    9.1614       10.1381   10.8918
 3      0.4329    2.5845       31.0474   31.2136      -10.2325   -9.1614
 4    -11.4859   -9.1614       -2.0373    0.0000        1.1550    2.5845
 5    -42.2425  -42.1055       -1.6741   -2.5845      -96.0083  -95.3349
 6      8.9439    9.1614       95.9566   95.3349       -0.5298    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -12.3665  -13.3746       -0.6167   -1.2506      -16.0619  -18.3012
 2    -26.8600  -26.8507      -77.3236  -76.6206      -15.8043  -18.3012
 3    -27.4491  -26.8507       -1.9605   -1.2506      -17.4215  -19.1566
 4     75.7608   75.3699       12.7437   13.4762       23.0598   23.8913
 5     -1.3576   -0.8554       39.8718   39.1343      -14.3069  -13.4762
 6    -65.0168  -63.0257        0.0706    0.8554      -77.3829  -75.3699
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.7126                 1.2849                 0.9529
  Dep-P Fr= 1--      0.7295                 0.6793                 0.7091
  Dep-U Fr= 1--      0.8436                 0.8090                 0.8298
 Alpha2 Fr= 1--      0.0003                 0.0016                 0.0007
 Beta2  Fr= 1--      0.1002                 0.1732                 0.1318
 AlphaG Fr= 1--     -0.0014                 0.0071                -0.0043
 Gamma2 Fr= 1--     -0.1872                -0.2316                -0.4579
 Delta2 Fr= 1--     -0.2708                 0.1823                -0.3057
 Raman1 Fr= 1--       2.851                  5.140                  3.811
 ROA1   Fr= 1--     -26.636                -16.401                -53.742
 CID1   Fr= 1--      -9.344                 -3.191                -14.100
 Raman2 Fr= 1--       1.202                  2.079                  1.581
 ROA2   Fr= 1--      -2.326                 -7.017                 -8.544
 CID2   Fr= 1--      -1.935                 -3.375                 -5.403
 Raman3 Fr= 1--       2.405                  4.158                  3.163
 ROA3   Fr= 1--     -26.636                -16.401                -53.742
 CID3   Fr= 1--     -11.077                 -3.944                -16.993
 RC180  Fr= 1--       0.687                  0.618                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      2.8597                 1.9411                 3.1463
  Dep-P Fr= 1--      0.7500                 0.7416                 0.6546
  Dep-U Fr= 1--      0.8571                 0.8516                 0.7912
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0054
 Beta2  Fr= 1--      0.4085                 0.2755                 0.4149
 AlphaG Fr= 1--      0.0001                 0.0017                -0.0008
 Gamma2 Fr= 1--      0.3536                 0.3986                -0.2124
 Delta2 Fr= 1--      0.3136                 0.1868                -0.0249
 Raman1 Fr= 1--      11.439                  7.765                 12.585
 ROA1   Fr= 1--      43.980                 44.244                -21.193
 CID1   Fr= 1--       3.845                  5.698                 -1.684
 Raman2 Fr= 1--       4.902                  3.306                  4.979
 ROA2   Fr= 1--       5.977                  8.072                 -4.899
 CID2   Fr= 1--       1.219                  2.441                 -0.984
 Raman3 Fr= 1--       9.804                  6.613                  9.958
 ROA3   Fr= 1--      43.980                 44.244                -21.193
 CID3   Fr= 1--       4.486                  6.691                 -2.128
 RC180  Fr= 1--       0.714                  0.703                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.5258                 0.3065                 0.2453
  Dep-P Fr= 1--      0.1528                 0.1041                 0.7493
  Dep-U Fr= 1--      0.2650                 0.1886                 0.8567
 Alpha2 Fr= 1--      0.0081                 0.0053                 0.0000
 Beta2  Fr= 1--      0.0232                 0.0096                 0.0350
 AlphaG Fr= 1--     -0.0070                -0.0106                 0.0001
 Gamma2 Fr= 1--     -0.0877                 0.2813                 0.3780
 Delta2 Fr= 1--     -0.0537                 0.2184                 0.1577
 Raman1 Fr= 1--       2.103                  1.226                  0.981
 ROA1   Fr= 1--     -10.142                 33.997                 41.332
 CID1   Fr= 1--      -4.822                 27.733                 42.119
 Raman2 Fr= 1--       0.279                  0.116                  0.420
 ROA2   Fr= 1--      -1.676                  5.004                  7.810
 CID2   Fr= 1--      -6.012                 43.286                 18.581
 Raman3 Fr= 1--       0.557                  0.231                  0.841
 ROA3   Fr= 1--     -10.142                 33.997                 41.332
 CID3   Fr= 1--     -18.194                147.030                 49.164
 RC180  Fr= 1--      -0.470                 -0.623                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.7619                 0.8201                 0.5390
  Dep-P Fr= 1--      0.2906                 0.7476                 0.1529
  Dep-U Fr= 1--      0.4503                 0.8556                 0.2652
 Alpha2 Fr= 1--      0.0080                 0.0000                 0.0083
 Beta2  Fr= 1--      0.0572                 0.1169                 0.0238
 AlphaG Fr= 1--      0.0280                -0.0001                 0.0087
 Gamma2 Fr= 1--      0.0067                 0.7686                -0.0274
 Delta2 Fr= 1--     -0.0804                 0.3228                -0.0562
 Raman1 Fr= 1--       3.048                  3.280                  2.156
 ROA1   Fr= 1--      -1.925                 84.113                 -4.434
 CID1   Fr= 1--      -0.632                 25.641                 -2.056
 Raman2 Fr= 1--       0.686                  1.403                  0.286
 ROA2   Fr= 1--       0.804                 15.863                 -0.209
 CID2   Fr= 1--       1.172                 11.304                 -0.731
 Raman3 Fr= 1--       1.372                  2.807                  0.572
 ROA3   Fr= 1--      -1.925                 84.113                 -4.434
 CID3   Fr= 1--      -1.403                 29.969                 -7.755
 RC180  Fr= 1--      -0.099                  0.711                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      1.3116                 1.4153                 2.0512
  Dep-P Fr= 1--      0.6469                 0.6922                 0.4358
  Dep-U Fr= 1--      0.7856                 0.8181                 0.6071
 Alpha2 Fr= 1--      0.0024                 0.0014                 0.0133
 Beta2  Fr= 1--      0.1717                 0.1930                 0.2075
 AlphaG Fr= 1--     -0.0006                 0.0004                 0.0079
 Gamma2 Fr= 1--     -1.2364                -0.3237                 0.9430
 Delta2 Fr= 1--     -0.2202                -0.8498                 0.5634
 Raman1 Fr= 1--       5.246                  5.661                  8.205
 ROA1   Fr= 1--    -125.744                -58.270                108.554
 CID1   Fr= 1--     -23.968                -10.293                 13.231
 Raman2 Fr= 1--       2.061                  2.316                  2.490
 ROA2   Fr= 1--     -27.913                 -0.970                 18.124
 CID2   Fr= 1--     -13.545                 -0.419                  7.277
 Raman3 Fr= 1--       4.122                  4.632                  4.981
 ROA3   Fr= 1--    -125.744                -58.270                108.554
 CID3   Fr= 1--     -30.509                -12.581                 21.794
 RC180  Fr= 1--       0.571                  0.636                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      2.2301                 4.9447                 1.2816
  Dep-P Fr= 1--      0.2568                 0.1018                 0.2208
  Dep-U Fr= 1--      0.4087                 0.1848                 0.3618
 Alpha2 Fr= 1--      0.0259                 0.0862                 0.0165
 Beta2  Fr= 1--      0.1519                 0.1523                 0.0773
 AlphaG Fr= 1--      0.0102                 0.0089                 0.0196
 Gamma2 Fr= 1--     -0.2165                -0.3868                 1.1024
 Delta2 Fr= 1--     -0.2057                -0.2597                 0.3630
 Raman1 Fr= 1--       8.920                 19.779                  5.126
 ROA1   Fr= 1--     -27.370                -45.441                117.447
 CID1   Fr= 1--      -3.068                 -2.297                 22.911
 Raman2 Fr= 1--       1.823                  1.827                  0.927
 ROA2   Fr= 1--      -3.551                 -7.205                 23.554
 CID2   Fr= 1--      -1.948                 -3.943                 25.402
 Raman3 Fr= 1--       3.646                  3.655                  1.855
 ROA3   Fr= 1--     -27.370                -45.441                117.447
 CID3   Fr= 1--      -7.507                -12.433                 63.329
 RC180  Fr= 1--      -0.183                 -0.630                 -0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0512                 1.1740                 0.3697
  Dep-P Fr= 1--      0.5637                 0.1736                 0.6584
  Dep-U Fr= 1--      0.7210                 0.2959                 0.7940
 Alpha2 Fr= 1--      0.0002                 0.0171                 0.0006
 Beta2  Fr= 1--      0.0062                 0.0579                 0.0489
 AlphaG Fr= 1--      0.0062                -0.0065                 0.0005
 Gamma2 Fr= 1--      0.4131                -0.0051                 0.2089
 Delta2 Fr= 1--     -0.0135                -0.1294                 0.0453
 Raman1 Fr= 1--       0.205                  4.696                  1.479
 ROA1   Fr= 1--      39.230                 -4.627                 21.506
 CID1   Fr= 1--     191.453                 -0.985                 14.541
 Raman2 Fr= 1--       0.074                  0.695                  0.587
 ROA2   Fr= 1--      10.023                  0.914                  4.651
 CID2   Fr= 1--     135.683                  1.315                  7.922
 Raman3 Fr= 1--       0.148                  1.389                  1.174
 ROA3   Fr= 1--      39.230                 -4.627                 21.506
 CID3   Fr= 1--     265.531                 -3.330                 18.314
 RC180  Fr= 1--       0.442                 -0.408                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.5492                 0.8410                 1.5734
  Dep-P Fr= 1--      0.3863                 0.3730                 0.5209
  Dep-U Fr= 1--      0.5573                 0.5433                 0.6850
 Alpha2 Fr= 1--      0.0120                 0.0068                 0.0070
 Beta2  Fr= 1--      0.1439                 0.0762                 0.1796
 AlphaG Fr= 1--     -0.0190                -0.0154                 0.0253
 Gamma2 Fr= 1--      0.1316                 0.1242                -0.6040
 Delta2 Fr= 1--      0.0592                 0.3048                -0.3671
 Raman1 Fr= 1--       6.197                  3.364                  6.293
 ROA1   Fr= 1--      14.524                 21.674                -69.729
 CID1   Fr= 1--       2.344                  6.443                -11.080
 Raman2 Fr= 1--       1.727                  0.914                  2.156
 ROA2   Fr= 1--       2.684                  0.542                -11.559
 CID2   Fr= 1--       1.554                  0.593                 -5.362
 Raman3 Fr= 1--       3.453                  1.828                  4.311
 ROA3   Fr= 1--      14.524                 21.674                -69.729
 CID3   Fr= 1--       4.206                 11.859                -16.174
 RC180  Fr= 1--       0.115                  0.087                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.5224                 0.6147                 3.9949
  Dep-P Fr= 1--      0.5817                 0.2379                 0.0210
  Dep-U Fr= 1--      0.7355                 0.3844                 0.0411
 Alpha2 Fr= 1--      0.0174                 0.0075                 0.0845
 Beta2  Fr= 1--      0.6770                 0.0394                 0.0274
 AlphaG Fr= 1--     -0.0408                -0.0015                -0.0341
 Gamma2 Fr= 1--     -0.1371                 0.0108                -0.7003
 Delta2 Fr= 1--     -0.0310                 0.1160                -0.0357
 Raman1 Fr= 1--      22.090                  2.459                 15.980
 ROA1   Fr= 1--     -14.156                  4.754                -68.376
 CID1   Fr= 1--      -0.641                  1.933                 -4.279
 Raman2 Fr= 1--       8.124                  0.473                  0.328
 ROA2   Fr= 1--      -3.043                 -0.668                -16.523
 CID2   Fr= 1--      -0.375                 -1.414                -50.334
 Raman3 Fr= 1--      16.247                  0.945                  0.657
 ROA3   Fr= 1--     -14.156                  4.754                -68.376
 CID3   Fr= 1--      -0.871                  5.029               -104.148
 RC180  Fr= 1--       0.471                 -0.231                 -0.918
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     30.4690                 3.9399                 4.9499
  Dep-P Fr= 1--      0.0212                 0.1388                 0.1905
  Dep-U Fr= 1--      0.0416                 0.2438                 0.3200
 Alpha2 Fr= 1--      0.6442                 0.0627                 0.0689
 Beta2  Fr= 1--      0.2112                 0.1601                 0.2640
 AlphaG Fr= 1--      0.0330                 0.0131                 0.0695
 Gamma2 Fr= 1--     -1.3650                -0.5782                 1.1981
 Delta2 Fr= 1--     -0.0107                 0.2569                 0.0836
 Raman1 Fr= 1--     121.876                 15.759                 19.800
 ROA1   Fr= 1--    -131.384                -47.282                117.693
 CID1   Fr= 1--      -1.078                 -3.000                  5.944
 Raman2 Fr= 1--       2.534                  1.921                  3.168
 ROA2   Fr= 1--     -32.674                -15.931                 28.086
 CID2   Fr= 1--     -12.894                 -8.293                  8.865
 Raman3 Fr= 1--       5.068                  3.842                  6.337
 ROA3   Fr= 1--    -131.384                -47.282                117.693
 CID3   Fr= 1--     -25.924                -12.307                 18.574
 RC180  Fr= 1--      -0.917                 -0.512                 -0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      1.4069                13.0715                 4.4710
  Dep-P Fr= 1--      0.7487                 0.1319                 0.0444
  Dep-U Fr= 1--      0.8563                 0.2331                 0.0851
 Alpha2 Fr= 1--      0.0000                 0.2115                 0.0895
 Beta2  Fr= 1--      0.2008                 0.5078                 0.0634
 AlphaG Fr= 1--     -0.0017                -0.1158                 0.0364
 Gamma2 Fr= 1--      0.3362                 1.3828                -0.3247
 Delta2 Fr= 1--      0.1100                 0.1703                -0.0584
 Raman1 Fr= 1--       5.628                 52.286                 17.884
 ROA1   Fr= 1--      35.792                138.195                -33.042
 CID1   Fr= 1--       6.360                  2.643                 -1.848
 Raman2 Fr= 1--       2.409                  6.094                  0.761
 ROA2   Fr= 1--       7.188                 31.824                 -7.326
 CID2   Fr= 1--       2.983                  5.223                 -9.629
 Raman3 Fr= 1--       4.819                 12.187                  1.522
 ROA3   Fr= 1--      35.792                138.195                -33.042
 CID3   Fr= 1--       7.427                 11.339                -21.714
 RC180  Fr= 1--       0.713                 -0.534                 -0.830
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      1.0318                 0.5493                 5.8833
  Dep-P Fr= 1--      0.5505                 0.5742                 0.7489
  Dep-U Fr= 1--      0.7101                 0.7295                 0.8564
 Alpha2 Fr= 1--      0.0039                 0.0018                 0.0001
 Beta2  Fr= 1--      0.1221                 0.0668                 0.8398
 AlphaG Fr= 1--      0.0015                 0.0032                 0.0026
 Gamma2 Fr= 1--      0.0210                -0.3009                -0.2515
 Delta2 Fr= 1--      0.0980                -0.2175                -1.2532
 Raman1 Fr= 1--       4.127                  2.197                 23.533
 ROA1   Fr= 1--       5.148                -35.846                -64.247
 CID1   Fr= 1--       1.247                -16.315                 -2.730
 Raman2 Fr= 1--       1.465                  0.801                 10.078
 ROA2   Fr= 1--      -0.281                 -5.482                  3.990
 CID2   Fr= 1--      -0.192                 -6.840                  0.396
 Raman3 Fr= 1--       2.931                  1.603                 20.155
 ROA3   Fr= 1--       5.148                -35.846                -64.247
 CID3   Fr= 1--       1.756                -22.364                 -3.188
 RC180  Fr= 1--       0.420                  0.459                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      2.2353                 2.9652                 1.3548
  Dep-P Fr= 1--      0.7499                 0.6862                 0.4492
  Dep-U Fr= 1--      0.8571                 0.8139                 0.6199
 Alpha2 Fr= 1--      0.0000                 0.0033                 0.0083
 Beta2  Fr= 1--      0.3193                 0.4022                 0.1400
 AlphaG Fr= 1--     -0.0007                 0.0016                 0.0119
 Gamma2 Fr= 1--     -1.8945                -0.2781                 1.2846
 Delta2 Fr= 1--      0.6982                 0.1360                 0.2999
 Raman1 Fr= 1--       8.941                 11.861                  5.419
 ROA1   Fr= 1--    -159.525                -22.348                132.920
 CID1   Fr= 1--     -17.842                 -1.884                 24.528
 Raman2 Fr= 1--       3.832                  4.827                  1.680
 ROA2   Fr= 1--     -51.052                 -7.763                 28.432
 CID2   Fr= 1--     -13.324                 -1.608                 16.927
 Raman3 Fr= 1--       7.663                  9.654                  3.359
 ROA3   Fr= 1--    -159.525                -22.348                132.920
 CID3   Fr= 1--     -20.817                 -2.315                 39.566
 RC180  Fr= 1--       0.714                  0.628                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      7.8696                 0.4990                 3.4467
  Dep-P Fr= 1--      0.3296                 0.2102                 0.2090
  Dep-U Fr= 1--      0.4958                 0.3474                 0.3458
 Alpha2 Fr= 1--      0.0737                 0.0066                 0.0457
 Beta2  Fr= 1--      0.6503                 0.0289                 0.1986
 AlphaG Fr= 1--      0.1223                 0.0094                 0.0417
 Gamma2 Fr= 1--     -0.1060                -0.0087                -0.4879
 Delta2 Fr= 1--     -0.6529                -0.1675                -0.8909
 Raman1 Fr= 1--      31.478                  1.996                 13.787
 ROA1   Fr= 1--     -31.066                 -6.196                -75.350
 CID1   Fr= 1--      -0.987                 -3.105                 -5.465
 Raman2 Fr= 1--       7.803                  0.347                  2.384
 ROA2   Fr= 1--       2.680                  1.130                 -4.582
 CID2   Fr= 1--       0.343                  3.260                 -1.922
 Raman3 Fr= 1--      15.606                  0.693                  4.767
 ROA3   Fr= 1--     -31.066                 -6.196                -75.350
 CID3   Fr= 1--      -1.991                 -8.937                -15.805
 RC180  Fr= 1--      -0.008                 -0.305                 -0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      3.6534                 5.7847                 3.5243
  Dep-P Fr= 1--      0.6773                 0.2151                 0.2504
  Dep-U Fr= 1--      0.8076                 0.3541                 0.4005
 Alpha2 Fr= 1--      0.0047                 0.0754                 0.0417
 Beta2  Fr= 1--      0.4918                 0.3414                 0.2353
 AlphaG Fr= 1--     -0.0257                -0.0729                 0.0106
 Gamma2 Fr= 1--      1.0243                -2.3642                 0.7695
 Delta2 Fr= 1--      1.2560                -0.2140                 0.4802
 Raman1 Fr= 1--      14.614                 23.139                 14.097
 ROA1   Fr= 1--     138.524               -233.812                 89.235
 CID1   Fr= 1--       9.479                -10.105                  6.330
 Raman2 Fr= 1--       5.901                  4.097                  2.823
 ROA2   Fr= 1--      14.535                -55.029                 14.626
 CID2   Fr= 1--       2.463                -13.433                  5.181
 Raman3 Fr= 1--      11.802                  8.193                  5.646
 ROA3   Fr= 1--     138.524               -233.812                 89.235
 CID3   Fr= 1--      11.737                -28.538                 15.804
 RC180  Fr= 1--       0.615                 -0.292                 -0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      1.9235                 6.4932                 6.8666
  Dep-P Fr= 1--      0.3156                 0.2277                 0.2434
  Dep-U Fr= 1--      0.4798                 0.3710                 0.3916
 Alpha2 Fr= 1--      0.0188                 0.0818                 0.0829
 Beta2  Fr= 1--      0.1538                 0.4015                 0.4481
 AlphaG Fr= 1--     -0.0184                -0.0773                 0.0252
 Gamma2 Fr= 1--     -2.4689                 0.6867                 0.0874
 Delta2 Fr= 1--     -1.2014                 0.4497                -0.5248
 Raman1 Fr= 1--       7.694                 25.973                 27.466
 ROA1   Fr= 1--    -275.463                 80.312                 -8.406
 CID1   Fr= 1--     -35.802                  3.092                 -0.306
 Raman2 Fr= 1--       1.846                  4.818                  5.377
 ROA2   Fr= 1--     -49.644                 12.882                  6.295
 CID2   Fr= 1--     -26.896                  2.674                  1.171
 Raman3 Fr= 1--       3.691                  9.636                 10.755
 ROA3   Fr= 1--    -275.463                 80.312                 -8.406
 CID3   Fr= 1--     -74.622                  8.335                 -0.782
 RC180  Fr= 1--      -0.040                 -0.258                 -0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     41.9740                27.0097                32.6723
  Dep-P Fr= 1--      0.1119                 0.1984                 0.1648
  Dep-U Fr= 1--      0.2012                 0.3311                 0.2830
 Alpha2 Fr= 1--      0.7138                 0.3684                 0.4863
 Beta2  Fr= 1--      1.4076                 1.4903                 1.5411
 AlphaG Fr= 1--      0.0810                 0.1138                -0.0917
 Gamma2 Fr= 1--     -7.2238                 0.4468                 0.9004
 Delta2 Fr= 1--     -0.5915                 0.3709                 0.1484
 Raman1 Fr= 1--     167.896                108.039                130.689
 ROA1   Fr= 1--    -712.419                 54.761                 91.182
 CID1   Fr= 1--      -4.243                  0.507                  0.698
 Raman2 Fr= 1--      16.891                 17.884                 18.493
 ROA2   Fr= 1--    -168.640                  7.757                 20.422
 CID2   Fr= 1--      -9.984                  0.434                  1.104
 Raman3 Fr= 1--      33.783                 35.768                 36.985
 ROA3   Fr= 1--    -712.419                 54.761                 91.182
 CID3   Fr= 1--     -21.088                  1.531                  2.465
 RC180  Fr= 1--      -0.598                 -0.338                 -0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      5.9595                 4.1390                28.7874
  Dep-P Fr= 1--      0.7365                 0.2126                 0.2826
  Dep-U Fr= 1--      0.8483                 0.3507                 0.4407
 Alpha2 Fr= 1--      0.0014                 0.0543                 0.3108
 Beta2  Fr= 1--      0.8425                 0.2419                 2.1142
 AlphaG Fr= 1--     -0.0172                 0.0275                -0.1329
 Gamma2 Fr= 1--      1.1962                 0.4490                 0.1426
 Delta2 Fr= 1--      0.5216                -0.2927                 0.0799
 Raman1 Fr= 1--      23.838                 16.556                115.149
 ROA1   Fr= 1--     131.529                 33.737                 16.244
 CID1   Fr= 1--       5.518                  2.038                  0.141
 Raman2 Fr= 1--      10.110                  2.903                 25.371
 ROA2   Fr= 1--      24.536                 13.118                  2.783
 CID2   Fr= 1--       2.427                  4.518                  0.110
 Raman3 Fr= 1--      20.221                  5.806                 50.741
 ROA3   Fr= 1--     131.529                 33.737                 16.244
 CID3   Fr= 1--       6.505                  5.811                  0.320
 RC180  Fr= 1--       0.697                 -0.299                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--      7.9916                 2.3689                 2.0845
  Dep-P Fr= 1--      0.6267                 0.7438                 0.6220
  Dep-U Fr= 1--      0.7705                 0.8531                 0.7670
 Alpha2 Fr= 1--      0.0179                 0.0002                 0.0049
 Beta2  Fr= 1--      1.0263                 0.3368                 0.2665
 AlphaG Fr= 1--      0.0834                 0.0026                -0.0023
 Gamma2 Fr= 1--     -0.9421                 4.2591                -0.6834
 Delta2 Fr= 1--     -0.0014                 2.7733                -0.7286
 Raman1 Fr= 1--      31.966                  9.476                  8.338
 ROA1   Fr= 1--     -90.482                497.620                -88.921
 CID1   Fr= 1--      -2.831                 52.516                -10.665
 Raman2 Fr= 1--      12.315                  4.042                  3.197
 ROA2   Fr= 1--     -22.598                 80.033                -10.573
 CID2   Fr= 1--      -1.835                 19.801                 -3.307
 Raman3 Fr= 1--      24.631                  8.084                  6.395
 ROA3   Fr= 1--     -90.482                497.620                -88.921
 CID3   Fr= 1--      -3.674                 61.559                -13.905
 RC180  Fr= 1--       0.541                  0.706                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      1.0101                 1.4301                10.5588
  Dep-P Fr= 1--      0.4878                 0.6466                 0.3936
  Dep-U Fr= 1--      0.6557                 0.7854                 0.5649
 Alpha2 Fr= 1--      0.0053                 0.0027                 0.0800
 Beta2  Fr= 1--      0.1104                 0.1872                 0.9941
 AlphaG Fr= 1--      0.0225                -0.0101                -0.0130
 Gamma2 Fr= 1--      0.1789                 1.2034                 0.1053
 Delta2 Fr= 1--     -0.0131                 0.7970                 0.0303
 Raman1 Fr= 1--       4.040                  5.720                 42.235
 ROA1   Fr= 1--      16.754                141.036                 11.080
 CID1   Fr= 1--       4.147                 24.655                  0.262
 Raman2 Fr= 1--       1.325                  2.246                 11.929
 ROA2   Fr= 1--       4.398                 22.506                  2.284
 CID2   Fr= 1--       3.320                 10.020                  0.191
 Raman3 Fr= 1--       2.649                  4.492                 23.858
 ROA3   Fr= 1--      16.754                141.036                 11.080
 CID3   Fr= 1--       6.324                 31.394                  0.464
 RC180  Fr= 1--       0.311                  0.571                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      1.0156                 1.2395                 1.4863
  Dep-P Fr= 1--      0.2666                 0.5925                 0.5955
  Dep-U Fr= 1--      0.4210                 0.7441                 0.7465
 Alpha2 Fr= 1--      0.0115                 0.0036                 0.0043
 Beta2  Fr= 1--      0.0713                 0.1537                 0.1849
 AlphaG Fr= 1--     -0.0077                -0.0059                 0.0056
 Gamma2 Fr= 1--     -0.0295                -0.0246                 0.5430
 Delta2 Fr= 1--      0.1896                 0.0331                 0.0856
 Raman1 Fr= 1--       4.062                  4.958                  5.945
 ROA1   Fr= 1--       3.235                 -1.298                 54.870
 CID1   Fr= 1--       0.796                 -0.262                  9.229
 Raman2 Fr= 1--       0.855                  1.845                  2.219
 ROA2   Fr= 1--      -2.224                 -0.854                 12.348
 CID2   Fr= 1--      -2.601                 -0.463                  5.565
 Raman3 Fr= 1--       1.710                  3.690                  4.438
 ROA3   Fr= 1--       3.235                 -1.298                 54.870
 CID3   Fr= 1--       1.891                 -0.352                 12.364
 RC180  Fr= 1--      -0.158                  0.488                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.5410                 7.8894                11.1282
  Dep-P Fr= 1--      0.1563                 0.7468                 0.7332
  Dep-U Fr= 1--      0.2703                 0.8550                 0.8461
 Alpha2 Fr= 1--      0.0082                 0.0004                 0.0032
 Beta2  Fr= 1--      0.0244                 1.1243                 1.5692
 AlphaG Fr= 1--      0.0519                -0.0067                 0.0004
 Gamma2 Fr= 1--     -0.8789                 0.2137                -0.4512
 Delta2 Fr= 1--     -0.0801                 0.0494                 0.2489
 Raman1 Fr= 1--       2.164                 31.557                 44.513
 ROA1   Fr= 1--     -86.935                 22.093                -35.347
 CID1   Fr= 1--     -40.177                  0.700                 -0.794
 Raman2 Fr= 1--       0.292                 13.491                 18.830
 ROA2   Fr= 1--     -20.452                  4.733                -12.819
 CID2   Fr= 1--     -69.934                  0.351                 -0.681
 Raman3 Fr= 1--       0.585                 26.983                 37.661
 ROA3   Fr= 1--     -86.935                 22.093                -35.347
 CID3   Fr= 1--    -148.637                  0.819                 -0.939
 RC180  Fr= 1--      -0.459                  0.710                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      5.7097                 2.4319                 5.0014
  Dep-P Fr= 1--      0.6596                 0.3485                 0.6669
  Dep-U Fr= 1--      0.7949                 0.5168                 0.8002
 Alpha2 Fr= 1--      0.0092                 0.0215                 0.0074
 Beta2  Fr= 1--      0.7564                 0.2095                 0.6670
 AlphaG Fr= 1--      0.0282                -0.0546                 0.0668
 Gamma2 Fr= 1--     -0.1204                -1.1847                 1.8275
 Delta2 Fr= 1--     -1.1346                 0.1338                 1.4907
 Raman1 Fr= 1--      22.839                  9.728                 20.006
 ROA1   Fr= 1--     -47.865               -109.455                223.141
 CID1   Fr= 1--      -2.096                -11.252                 11.154
 Raman2 Fr= 1--       9.077                  2.514                  8.004
 ROA2   Fr= 1--       6.188                -29.504                 31.934
 CID2   Fr= 1--       0.682                -11.737                  3.990
 Raman3 Fr= 1--      18.154                  5.028                 16.008
 ROA3   Fr= 1--     -47.865               -109.455                223.141
 CID3   Fr= 1--      -2.637                -21.771                 13.940
 RC180  Fr= 1--       0.590                  0.034                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      0.7988                 2.6542                 1.0540
  Dep-P Fr= 1--      0.7118                 0.7359                 0.6691
  Dep-U Fr= 1--      0.8317                 0.8478                 0.8017
 Alpha2 Fr= 1--      0.0005                 0.0006                 0.0015
 Beta2  Fr= 1--      0.1107                 0.3751                 0.1408
 AlphaG Fr= 1--      0.0023                 0.0026                 0.0083
 Gamma2 Fr= 1--      0.4606                 0.8490                 0.6054
 Delta2 Fr= 1--      0.0554                 0.2723                 0.6461
 Raman1 Fr= 1--       3.195                 10.617                  4.216
 ROA1   Fr= 1--      45.986                 90.214                 78.792
 CID1   Fr= 1--      14.392                  8.497                 18.689
 Raman2 Fr= 1--       1.329                  4.501                  1.690
 ROA2   Fr= 1--      10.610                 18.197                  9.361
 CID2   Fr= 1--       7.986                  4.043                  5.539
 Raman3 Fr= 1--       2.657                  9.001                  3.380
 ROA3   Fr= 1--      45.986                 90.214                 78.792
 CID3   Fr= 1--      17.306                 10.022                 23.311
 RC180  Fr= 1--       0.663                  0.696                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      2.3770               127.9119                19.8746
  Dep-P Fr= 1--      0.6694                 0.4687                 0.1655
  Dep-U Fr= 1--      0.8020                 0.6383                 0.2840
 Alpha2 Fr= 1--      0.0034                 0.7258                 0.2953
 Beta2  Fr= 1--      0.3177                13.6070                 0.9407
 AlphaG Fr= 1--     -0.0590                 0.1360                -0.0804
 Gamma2 Fr= 1--     -0.0710                 2.5666                 1.4844
 Delta2 Fr= 1--     -0.1101                 0.2319                -2.6421
 Raman1 Fr= 1--       9.508                511.648                 79.498
 ROA1   Fr= 1--     -10.341                253.818                 57.952
 CID1   Fr= 1--      -1.088                  0.496                  0.729
 Raman2 Fr= 1--       3.813                163.284                 11.288
 ROA2   Fr= 1--      -0.823                 59.744                 56.761
 CID2   Fr= 1--      -0.216                  0.366                  5.028
 Raman3 Fr= 1--       7.625                326.567                 22.576
 ROA3   Fr= 1--     -10.341                253.818                 57.952
 CID3   Fr= 1--      -1.356                  0.777                  2.567
 RC180  Fr= 1--       0.604                  0.277                 -0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    127.2747                12.1639                51.5591
  Dep-P Fr= 1--      0.4553                 0.7483                 0.5885
  Dep-U Fr= 1--      0.6257                 0.8560                 0.7410
 Alpha2 Fr= 1--      0.7637                 0.0003                 0.1553
 Beta2  Fr= 1--     13.2727                 1.7355                 6.3672
 AlphaG Fr= 1--      0.0081                 0.0004                -0.0668
 Gamma2 Fr= 1--      1.0821                 1.3751                -0.7722
 Delta2 Fr= 1--     -0.6274                -0.3597                 0.5559
 Raman1 Fr= 1--     509.099                 48.656                206.237
 ROA1   Fr= 1--      83.807                120.500                -56.347
 CID1   Fr= 1--       0.165                  2.477                 -0.273
 Raman2 Fr= 1--     159.272                 20.825                 76.406
 ROA2   Fr= 1--      30.991                 35.881                -22.981
 CID2   Fr= 1--       0.195                  1.723                 -0.301
 Raman3 Fr= 1--     318.544                 41.651                152.813
 ROA3   Fr= 1--      83.807                120.500                -56.347
 CID3   Fr= 1--       0.263                  2.893                 -0.369
 RC180  Fr= 1--       0.251                  0.712                  0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    519.9396               226.7850                51.9076
  Dep-P Fr= 1--      0.0102                 0.0598                 0.7493
  Dep-U Fr= 1--      0.0202                 0.1128                 0.8567
 Alpha2 Fr= 1--     11.2822                 4.3763                 0.0006
 Beta2  Fr= 1--      1.7489                 4.2645                 7.4113
 AlphaG Fr= 1--      0.5178                -0.6905                -0.0339
 Gamma2 Fr= 1--      1.7132                 0.2715                 0.7082
 Delta2 Fr= 1--     -0.2282                 2.5316                 0.8940
 Raman1 Fr= 1--    2079.758                907.140                207.630
 ROA1   Fr= 1--     157.168                107.073                 96.597
 CID1   Fr= 1--       0.076                  0.118                  0.465
 Raman2 Fr= 1--      20.987                 51.174                 88.936
 ROA2   Fr= 1--      42.944                -13.738                  9.845
 CID2   Fr= 1--       2.046                 -0.268                  0.111
 Raman3 Fr= 1--      41.975                102.348                177.871
 ROA3   Fr= 1--     157.168                107.073                 96.597
 CID3   Fr= 1--       3.744                  1.046                  0.543
 RC180  Fr= 1--      -0.960                 -0.774                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     58.2653                36.0696               125.7934
  Dep-P Fr= 1--      0.2140                 0.7480                 0.6940
  Dep-U Fr= 1--      0.3526                 0.8558                 0.8194
 Alpha2 Fr= 1--      0.7621                 0.0012                 0.1232
 Beta2  Fr= 1--      3.4242                 5.1449                17.1788
 AlphaG Fr= 1--      0.3192                -0.0787                 0.0014
 Gamma2 Fr= 1--     -3.7936                 3.0838                -0.3058
 Delta2 Fr= 1--     -3.8340                 2.1996                -1.8257
 Raman1 Fr= 1--     233.061                144.279                503.174
 ROA1   Fr= 1--    -486.877                366.434                -87.774
 CID1   Fr= 1--      -2.089                  2.540                 -0.174
 Raman2 Fr= 1--      41.090                 61.739                206.145
 ROA2   Fr= 1--     -60.375                 56.415                  7.267
 CID2   Fr= 1--      -1.469                  0.914                  0.035
 Raman3 Fr= 1--      82.181                123.477                412.291
 ROA3   Fr= 1--    -486.877                366.434                -87.774
 CID3   Fr= 1--      -5.924                  2.968                 -0.213
 RC180  Fr= 1--      -0.295                  0.712                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     12.0697                58.8271                95.8727
  Dep-P Fr= 1--      0.7214                 0.4795                 0.7166
  Dep-U Fr= 1--      0.8381                 0.6482                 0.8349
 Alpha2 Fr= 1--      0.0059                 0.3187                 0.0553
 Beta2  Fr= 1--      1.6860                 6.3550                13.3405
 AlphaG Fr= 1--      0.0888                -0.0809                 0.1098
 Gamma2 Fr= 1--     -6.3126                 3.4433                -1.4510
 Delta2 Fr= 1--     -2.8659                 2.1952                -3.1271
 Raman1 Fr= 1--      48.279                235.308                383.491
 ROA1   Fr= 1--    -697.714                400.805               -239.363
 CID1   Fr= 1--     -14.452                  1.703                 -0.624
 Raman2 Fr= 1--      20.232                 76.260                160.085
 ROA2   Fr= 1--    -128.574                 65.078                 -9.808
 CID2   Fr= 1--      -6.355                  0.853                 -0.061
 Raman3 Fr= 1--      40.464                152.521                320.171
 ROA3   Fr= 1--    -697.714                400.805               -239.363
 CID3   Fr= 1--     -17.243                  2.628                 -0.748
 RC180  Fr= 1--       0.676                  0.296                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     26.4183                44.7855                57.1626
  Dep-P Fr= 1--      0.6498                 0.7468                 0.5293
  Dep-U Fr= 1--      0.7877                 0.8551                 0.6922
 Alpha2 Fr= 1--      0.0475                 0.0024                 0.2444
 Beta2  Fr= 1--      3.4684                 6.3824                 6.5948
 AlphaG Fr= 1--     -0.0120                -0.0234                -0.2497
 Gamma2 Fr= 1--     -1.3556                 0.8941                -2.5849
 Delta2 Fr= 1--      0.4206                 0.7448                 0.6930
 Raman1 Fr= 1--     105.673                179.142                228.650
 ROA1   Fr= 1--    -116.676                109.668               -225.968
 CID1   Fr= 1--      -1.104                  0.612                 -0.988
 Raman2 Fr= 1--      41.620                 76.589                 79.138
 ROA2   Fr= 1--     -35.899                 15.500                -67.581
 CID2   Fr= 1--      -0.863                  0.202                 -0.854
 Raman3 Fr= 1--      83.241                153.178                158.276
 ROA3   Fr= 1--    -116.676                109.668               -225.968
 CID3   Fr= 1--      -1.402                  0.716                 -1.428
 RC180  Fr= 1--       0.575                  0.710                  0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    118.3738               116.5988               118.4445
  Dep-P Fr= 1--      0.1365                 0.1292                 0.2383
  Dep-U Fr= 1--      0.2402                 0.2289                 0.3849
 Alpha2 Fr= 1--      1.8934                 1.8991                 1.4502
 Beta2  Fr= 1--      4.7386                 4.4484                 7.5981
 AlphaG Fr= 1--      0.2374                -0.0239                -0.0799
 Gamma2 Fr= 1--      2.5370                 1.0508                 3.2653
 Delta2 Fr= 1--     -0.6397                 0.1718                -0.7243
 Raman1 Fr= 1--     473.495                466.395                473.778
 ROA1   Fr= 1--     223.083                106.375                290.287
 CID1   Fr= 1--       0.471                  0.228                  0.613
 Raman2 Fr= 1--      56.863                 53.380                 91.177
 ROA2   Fr= 1--      66.007                 23.844                 84.161
 CID2   Fr= 1--       1.161                  0.447                  0.923
 Raman3 Fr= 1--     113.725                106.760                182.355
 ROA3   Fr= 1--     223.083                106.375                290.287
 CID3   Fr= 1--       1.962                  0.996                  1.592
 RC180  Fr= 1--      -0.520                 -0.542                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
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                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
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                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.206868D+03 -0.138739D+01 -0.817213D+00
      2  -0.138739D+01  0.135048D+03 -0.658905D+01
      3  -0.817213D+00 -0.658905D+01  0.153776D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.341409D+01 -0.778351D+01  0.218272D+02
      2   0.103680D+02 -0.886001D+01  0.442521D+02
      3  -0.117162D+03 -0.350907D+02  0.121927D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.159607D+03  0.534587D+02 -0.300526D+01
      2  -0.864906D+02 -0.302969D+02  0.161513D+02
      3  -0.731160D+02 -0.231618D+02 -0.131461D+02
      4  -0.251453D+02  0.679785D+02 -0.257496D+02
      5  -0.514709D+01 -0.282901D+02  0.948293D+02
      6  -0.112634D+02  0.131541D+02 -0.263960D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.892853D+01  0.634023D+00  0.109972D+01 -0.175837D+01  0.169123D+01
      2   0.634023D+00  0.162011D+01 -0.782626D+00  0.169123D+01 -0.338716D+01
      3   0.109972D+01 -0.782626D+00  0.281225D+01  0.172501D+01  0.228548D+01
                 6             7             8             9            10 
      1   0.172501D+01  0.125231D+02  0.135278D+01 -0.704588D+00  0.292613D+02
      2   0.228548D+01  0.135278D+01 -0.112932D+00  0.139920D+01  0.155159D+01
      3   0.890640D+00 -0.704588D+00  0.139920D+01  0.933781D+00 -0.122406D+01
                11            12            13            14            15 
      1   0.155159D+01 -0.122406D+01 -0.103137D+01  0.398074D+01  0.145338D+01
      2   0.172026D+01 -0.633849D+00  0.398074D+01 -0.147568D+01 -0.774318D-01
      3  -0.633849D+00  0.282116D+01  0.145338D+01 -0.774318D-01 -0.694212D+00
                16            17            18            19            20 
      1  -0.220179D+01  0.135299D+01  0.107564D+01  0.122770D+02 -0.656178D+00
      2   0.135299D+01  0.408281D+00 -0.109431D+01 -0.656178D+00 -0.218727D+01
      3   0.107564D+01 -0.109431D+01 -0.477451D+00 -0.128060D+01  0.149751D+01
                21            22            23            24            25 
      1  -0.128060D+01 -0.390753D+01 -0.150263D+01 -0.613472D-01  0.107083D+02
      2   0.149751D+01 -0.150263D+01 -0.257832D+01  0.250544D+01 -0.171777D+01
      3  -0.162029D+01 -0.613472D-01  0.250544D+01  0.190736D+01 -0.400495D-02
                26            27            28            29            30 
      1  -0.171777D+01 -0.400495D-02 -0.272161D+02  0.541944D+00  0.955208D+00
      2   0.110554D+01  0.127903D+01  0.541944D+00 -0.147330D+01  0.263263D+00
      3   0.127903D+01  0.183286D+01  0.955208D+00  0.263263D+00 -0.272576D+01
                31            32            33            34            35 
      1   0.280189D+01 -0.491498D+01 -0.169542D+01  0.323993D+01 -0.150734D+01
      2  -0.491498D+01  0.707882D+00  0.493055D+00 -0.150734D+01  0.162109D+00
      3  -0.169542D+01  0.493055D+00 -0.103516D-01 -0.435257D+00 -0.946977D+00
                36            37            38            39            40 
      1  -0.435257D+00  0.939855D+01 -0.895388D+00 -0.777261D+00  0.331692D+01
      2  -0.946977D+00 -0.895388D+00 -0.520059D+00 -0.402507D+00 -0.163872D+01
      3   0.290272D+00 -0.777261D+00 -0.402507D+00 -0.293187D+01 -0.108206D+01
                41            42            43            44            45 
      1  -0.163872D+01 -0.108206D+01 -0.130029D+02  0.428597D+00  0.420390D+00
      2   0.212787D+01 -0.231079D+01  0.428597D+00 -0.112234D+01 -0.792965D+00
      3  -0.231079D+01 -0.120881D+01  0.420390D+00 -0.792965D+00 -0.133913D+01
                46            47            48            49            50 
      1  -0.117765D+02  0.348938D+00  0.857304D+00  0.507282D+01  0.195779D+01
      2   0.348938D+00  0.654676D+00 -0.253246D-01  0.195779D+01  0.166309D+01
      3   0.857304D+00 -0.253246D-01  0.151416D+01 -0.365059D+00 -0.287460D+01
                51            52            53            54            55 
      1  -0.365059D+00 -0.982536D+01  0.314458D+00 -0.134413D+00 -0.133232D+02
      2  -0.287460D+01  0.314458D+00 -0.132023D+01 -0.831723D+00 -0.285005D+01
      3  -0.218318D+01 -0.134413D+00 -0.831723D+00 -0.176188D+01 -0.444051D+00
                56            57            58            59            60 
      1  -0.285005D+01 -0.444051D+00 -0.650125D+01 -0.689527D+01 -0.345408D+00
      2  -0.359420D+01  0.690964D-01 -0.689527D+01  0.990650D-01 -0.190091D+01
      3   0.690964D-01 -0.154211D+01 -0.345408D+00 -0.190091D+01  0.194112D+01
                61            62            63            64            65 
      1  -0.165672D+01 -0.593931D+00 -0.313439D+01 -0.408232D+01  0.419704D+01
      2  -0.593931D+00 -0.251255D+01  0.281847D+01  0.419704D+01  0.281780D+01
      3  -0.313439D+01  0.281847D+01  0.426666D+01  0.215038D+01 -0.255073D+00
                66            67            68            69            70 
      1   0.215038D+01  0.123776D+02  0.499009D+01 -0.241036D-01  0.497800D+01
      2  -0.255073D+00  0.499009D+01  0.177022D+01  0.297964D+01  0.739690D+00
      3   0.695170D+00 -0.241036D-01  0.297964D+01 -0.261220D+01  0.272626D+00
                71            72            73            74            75 
      1   0.739690D+00  0.272626D+00  0.319914D+01 -0.311379D+01 -0.222856D+01
      2   0.314783D+01 -0.235596D+01 -0.311379D+01 -0.320442D+01 -0.506523D-01
      3  -0.235596D+01 -0.381402D+01 -0.222856D+01 -0.506523D-01 -0.137368D+01
                76            77            78            79            80 
      1  -0.450452D+01 -0.414833D+01  0.763996D-02 -0.268270D+01  0.211184D+00
      2  -0.414833D+01 -0.118340D+01 -0.394858D+01  0.211184D+00 -0.299786D+01
      3   0.763996D-02 -0.394858D+01  0.276975D+01 -0.371289D+00  0.245609D+01
                81            82            83            84            85 
      1  -0.371289D+00  0.318443D+01 -0.373868D+01 -0.123528D+01 -0.583941D+01
      2   0.245609D+01 -0.373868D+01 -0.360705D+01  0.310089D+00 -0.397670D+01
      3   0.233543D+01 -0.123528D+01  0.310089D+00 -0.982191D+00 -0.107151D+00
                86            87            88            89            90 
      1  -0.397670D+01 -0.107151D+00 -0.185448D+01 -0.856458D+00 -0.732949D+00
      2  -0.270181D+01 -0.222649D+01 -0.856458D+00 -0.295843D+01  0.203822D+01
      3  -0.222649D+01  0.283257D+01 -0.732949D+00  0.203822D+01  0.557547D+01
                91            92            93            94            95 
      1   0.472722D+01  0.199386D+01  0.178043D+01 -0.277897D+01  0.534063D+01
      2   0.199386D+01  0.146565D+01  0.320110D+00  0.534063D+01 -0.331981D+01
      3   0.178043D+01  0.320110D+00  0.150491D+01  0.142385D+01  0.436126D+00
                96            97            98            99           100 
      1   0.142385D+01  0.277670D+01  0.194649D+01  0.234534D+01  0.103912D+01
      2   0.436126D+00  0.194649D+01  0.471448D+00  0.254265D+01 -0.129504D+01
      3   0.210192D+01  0.234534D+01  0.254265D+01 -0.320060D+01 -0.153193D+01
               101           102           103           104           105 
      1  -0.129504D+01 -0.153193D+01 -0.645381D+00 -0.439900D+00  0.119008D+01
      2   0.257143D+00  0.740328D+00 -0.439900D+00  0.204205D+01 -0.171954D+01
      3   0.740328D+00  0.539378D+00  0.119008D+01 -0.171954D+01 -0.324124D+01
               106           107           108           109           110 
      1  -0.364966D+01  0.173904D+01  0.124510D+01 -0.239964D+01  0.178985D+01
      2   0.173904D+01 -0.365797D+01 -0.331095D+01  0.178985D+01 -0.931638D+00
      3   0.124510D+01 -0.331095D+01 -0.215096D+01  0.311687D+01 -0.726480D+00
               111           112           113           114           115 
      1   0.311687D+01  0.311393D+01 -0.277760D+01 -0.165163D+01  0.615808D+01
      2  -0.726480D+00 -0.277760D+01  0.505325D+01  0.382870D+01 -0.286329D+01
      3  -0.134226D+01 -0.165163D+01  0.382870D+01  0.358815D+01 -0.312142D+01
               116           117           118           119           120 
      1  -0.286329D+01 -0.312142D+01  0.353097D+00 -0.520391D+00 -0.136787D+01
      2   0.500750D+01  0.410255D+01 -0.520391D+00  0.176001D+01 -0.121016D+00
      3   0.410255D+01  0.884435D+01 -0.136787D+01 -0.121016D+00 -0.169170D+00
               121           122           123           124           125 
      1  -0.143448D+01  0.296674D+01 -0.354170D+00 -0.374103D+01  0.942048D+00
      2   0.296674D+01 -0.655496D+01 -0.191133D+00  0.942048D+00 -0.159491D+01
      3  -0.354170D+00 -0.191133D+00 -0.663835D-01 -0.956791D+00  0.135535D+01
               126           127           128           129           130 
      1  -0.956791D+00  0.335370D+01 -0.990952D+00  0.240584D+01 -0.179016D+01
      2   0.135535D+01 -0.990952D+00  0.946319D+00 -0.995730D+00  0.629482D+00
      3  -0.399384D+01  0.240584D+01 -0.995730D+00  0.214680D+01 -0.127366D+01
               131           132           133           134           135 
      1   0.629482D+00 -0.127366D+01  0.248952D+01 -0.116093D+01  0.275477D+01
      2  -0.826020D+00  0.859971D+00 -0.116093D+01  0.168476D+01 -0.202810D+01
      3   0.859971D+00 -0.198373D+01  0.275477D+01 -0.202810D+01  0.485131D+01
               136           137           138           139           140 
      1  -0.203523D+01 -0.622556D+00  0.198355D+01 -0.359891D+00 -0.178681D+00
      2  -0.622556D+00 -0.383376D+00  0.614370D+00 -0.178681D+00 -0.547851D+00
      3   0.198355D+01  0.614370D+00 -0.218800D+01  0.615451D+00  0.718336D+00
               141           142           143           144           145 
      1   0.615451D+00  0.205076D+01  0.928320D+00 -0.254395D+01 -0.451133D+01
      2   0.718336D+00  0.928320D+00  0.159179D+01 -0.225489D+01  0.157178D+01
      3  -0.210225D+01 -0.254395D+01 -0.225489D+01  0.705492D+01 -0.192093D+01
               146           147           148           149           150 
      1   0.157178D+01 -0.192093D+01  0.240592D+01 -0.113716D+01  0.105988D+01
      2  -0.117553D+01  0.521387D+00 -0.113716D+01  0.988496D+00 -0.491858D+00
      3   0.521387D+00 -0.182353D+01  0.105988D+01 -0.491858D+00  0.184617D+01
               151           152           153           154           155 
      1  -0.218714D+01  0.571583D+00 -0.259080D+01  0.200456D+01  0.609813D+00
      2   0.571583D+00 -0.952686D+00  0.140770D+01  0.609813D+00  0.309675D+00
      3  -0.259080D+01  0.140770D+01 -0.468722D+01 -0.189583D+01 -0.297743D+00
               156           157           158           159           160 
      1  -0.189583D+01  0.236013D+00  0.174766D+00 -0.526491D+00 -0.227952D+01
      2  -0.297743D+00  0.174766D+00  0.322647D+00 -0.466920D+00 -0.802313D+00
      3   0.202506D+01 -0.526491D+00 -0.466920D+00  0.184062D+01  0.264466D+01
               161           162           163           164           165 
      1  -0.802313D+00  0.264466D+01  0.165481D+01 -0.435938D+00 -0.163722D+01
      2  -0.111986D+01  0.138083D+01 -0.435938D+00  0.934634D+00  0.443679D+00
      3   0.138083D+01 -0.700299D+01 -0.163722D+01  0.443679D+00  0.133561D+01
               166           167           168           169           170 
      1   0.887906D+00  0.149349D+01  0.482906D+00 -0.454265D+01  0.723069D+00
      2   0.149349D+01 -0.118026D+01 -0.124705D+01  0.723069D+00 -0.191889D+01
      3   0.482906D+00 -0.124705D+01 -0.137274D+01  0.287425D+01 -0.247657D+01
               171           172           173           174           175 
      1   0.287425D+01  0.322502D+01 -0.176347D+01  0.109698D+01 -0.251691D+01
      2  -0.247657D+01 -0.176347D+01  0.225395D+01 -0.391525D+00  0.306015D+01
      3  -0.630194D+01  0.109698D+01 -0.391525D+00  0.725012D+00 -0.583973D+00
               176           177           178           179           180 
      1   0.306015D+01 -0.583973D+00  0.435774D+01 -0.929368D+00  0.123988D+01
      2  -0.522770D+01  0.145973D+01 -0.929368D+00  0.273355D+01 -0.158551D+01
      3   0.145973D+01 -0.117877D+01  0.123988D+01 -0.158551D+01  0.104837D+01
               181           182           183           184           185 
      1   0.128507D+02 -0.143245D+01 -0.148128D+01 -0.305108D+01  0.110179D+01
      2  -0.143245D+01  0.120942D+01  0.189713D+00  0.110179D+01 -0.103984D+01
      3  -0.148128D+01  0.189713D+00  0.141738D+01  0.110810D+00 -0.645403D+00
               186           187           188           189           190 
      1   0.110810D+00 -0.209924D+01 -0.169778D-01  0.184889D+01 -0.714647D+01
      2  -0.645403D+00 -0.169778D-01 -0.724367D+00  0.103800D+00  0.115422D+00
      3  -0.561389D-01  0.184889D+01  0.103800D+00 -0.269391D+00  0.570732D+00
               191           192           193           194           195 
      1   0.115422D+00  0.570732D+00 -0.121651D+00 -0.914118D+00 -0.648893D+00
      2  -0.142308D+01 -0.831657D+00 -0.914118D+00  0.764935D+00  0.747619D+00
      3  -0.831657D+00 -0.198899D+01 -0.648893D+00  0.747619D+00  0.393911D+00
               196           197           198           199           200 
      1   0.405819D+00 -0.493199D+00 -0.905120D+00  0.398235D+01  0.297476D+01
      2  -0.493199D+00  0.546752D+00  0.827146D-01  0.297476D+01  0.288073D+01
      3  -0.905120D+00  0.827146D-01  0.957594D+00  0.203374D+01  0.121806D+01
               201           202           203           204           205 
      1   0.203374D+01  0.377561D+01  0.370556D+01  0.180325D+01  0.117352D+01
      2   0.121806D+01  0.370556D+01  0.512371D+01  0.251195D+01  0.850287D+00
      3   0.182024D+01  0.180325D+01  0.251195D+01  0.206664D+01  0.144062D+01
               206           207           208           209           210 
      1   0.850287D+00  0.144062D+01  0.115155D+01 -0.656931D+00  0.149296D+01
      2   0.131536D+01  0.114933D+01 -0.656931D+00  0.124581D+01 -0.629454D+00
      3   0.114933D+01  0.123489D+01  0.149296D+01 -0.629454D+00  0.153523D+01
               211           212           213           214           215 
      1  -0.150875D+01  0.123046D+01 -0.128503D+01  0.158750D+01 -0.638987D+00
      2   0.123046D+01 -0.320399D+01  0.245286D+01 -0.638987D+00  0.203534D+01
      3  -0.128503D+01  0.245286D+01 -0.359253D+01  0.152280D+01 -0.208097D+01
               216           217           218           219           220 
      1   0.152280D+01  0.388677D+00  0.395487D+00 -0.112418D+01 -0.161277D-01
      2  -0.208097D+01  0.395487D+00  0.604278D+00 -0.109612D+00  0.369822D+00
      3   0.393509D+01 -0.112418D+01 -0.109612D+00  0.107308D+01  0.813232D-01
               221           222           223           224           225 
      1   0.369822D+00  0.813232D-01 -0.153854D+01 -0.293095D+00  0.134585D+01
      2  -0.164709D+00 -0.662579D+00 -0.293095D+00 -0.131991D+01  0.275853D+00
      3  -0.662579D+00 -0.125258D+01  0.134585D+01  0.275853D+00 -0.861213D+01
               226           227           228           229           230 
      1   0.337647D+01  0.339390D+01 -0.343934D-01  0.347546D+01  0.420285D+01
      2   0.339390D+01  0.392185D+01 -0.246397D+00  0.420285D+01  0.724412D+01
      3  -0.343934D-01 -0.246397D+00  0.976123D+00 -0.184494D+00 -0.118668D+00
               231           232           233           234           235 
      1  -0.184494D+00  0.970964D+00  0.714716D+00  0.776706D+00 -0.563429D+01
      2  -0.118668D+00  0.714716D+00  0.149137D+01  0.632725D+00  0.120240D+01
      3   0.765345D+00  0.776706D+00  0.632725D+00 -0.118111D+00  0.403856D+00
               236           237           238           239           240 
      1   0.120240D+01  0.403856D+00  0.250304D+01 -0.875822D-01 -0.914545D-01
      2  -0.187007D+01  0.279122D+00 -0.875822D-01  0.202553D+01 -0.557233D-03
      3   0.279122D+00 -0.105870D+01 -0.914545D-01 -0.557233D-03  0.198208D+00
               241           242           243           244           245 
      1   0.636364D+00 -0.135025D+00 -0.461025D+00  0.139476D-01 -0.860867D+00
      2  -0.135025D+00  0.605427D+00  0.933305D-01 -0.860867D+00 -0.620324D+00
      3  -0.461025D+00  0.933305D-01 -0.324341D+00  0.118832D+01  0.202729D+00
               246           247           248           249           250 
      1   0.118832D+01 -0.124006D+01 -0.110024D+01  0.347483D+00  0.257604D+01
      2   0.202729D+00 -0.110024D+01 -0.855416D+00  0.113977D+01  0.385182D+00
      3  -0.108374D+01  0.347483D+00  0.113977D+01 -0.144690D+01 -0.178821D+01
               251           252           253           254           255 
      1   0.385182D+00 -0.178821D+01  0.718336D+01 -0.121051D+01 -0.204953D+01
      2   0.152740D+01 -0.131452D+01 -0.121051D+01 -0.295608D+01 -0.970131D+00
      3  -0.131452D+01  0.513171D+01 -0.204953D+01 -0.970131D+00 -0.146418D+01
               256           257           258           259           260 
      1  -0.396141D+01 -0.254350D+01 -0.122486D+01 -0.627006D+01 -0.146854D+01
      2  -0.254350D+01  0.499461D+01 -0.376595D+00 -0.146854D+01 -0.170041D+01
      3  -0.122486D+01 -0.376595D+00 -0.225037D+01 -0.196065D+01 -0.235040D+01
               261           262           263           264           265 
      1  -0.196065D+01 -0.108670D+01  0.139012D+01 -0.576019D+00  0.231395D+01
      2  -0.235040D+01  0.139012D+01 -0.156144D+01  0.419801D+00 -0.326984D+01
      3   0.275036D+01 -0.576019D+00  0.419801D+00 -0.427349D+00  0.827305D+00
               266           267           268           269           270 
      1  -0.326984D+01  0.827305D+00 -0.756568D-01 -0.215336D+00 -0.308172D+00
      2   0.864386D+01 -0.179244D+01 -0.215336D+00  0.417257D+00  0.593204D+00
      3  -0.179244D+01  0.158600D+01 -0.308172D+00  0.593204D+00 -0.716698D+00
               271           272           273           274           275 
      1  -0.351866D-01  0.468217D+00 -0.414993D+00  0.145229D+01  0.296706D+00
      2   0.468217D+00  0.511720D+00  0.212602D+00  0.296706D+00  0.179515D+00
      3  -0.414993D+00  0.212602D+00  0.420850D+00  0.389043D+00 -0.596885D+00
               276           277           278           279           280 
      1   0.389043D+00 -0.196784D+01 -0.206336D+00 -0.755381D+00 -0.143964D+02
      2  -0.596885D+00 -0.206336D+00 -0.125943D+01  0.300068D+00 -0.140590D+01
      3   0.123431D+01 -0.755381D+00  0.300068D+00 -0.601463D+01 -0.144996D+00
               281           282           283           284           285 
      1  -0.140590D+01 -0.144996D+00  0.922446D+00 -0.108327D+01  0.135622D+00
      2  -0.130858D+01 -0.151015D+00 -0.108327D+01 -0.481395D+00  0.114114D+00
      3  -0.151015D+00 -0.106109D+01  0.135622D+00  0.114114D+00  0.360637D+00
               286           287           288           289           290 
      1   0.203297D+01  0.407624D+00 -0.101891D+01 -0.531922D-01 -0.730050D+00
      2   0.407624D+00  0.523827D+00  0.129760D+00 -0.730050D+00  0.170237D+01
      3  -0.101891D+01  0.129760D+00  0.951030D-01  0.233103D+00  0.318931D+00
               291           292           293           294           295 
      1   0.233103D+00 -0.168847D+01 -0.583790D+00 -0.147839D+00  0.909987D+00
      2   0.318931D+00 -0.583790D+00 -0.902253D+01 -0.884355D+00  0.290845D+00
      3   0.420522D+00 -0.147839D+00 -0.884355D+00 -0.107098D+01  0.119785D+00
               296           297 
      1   0.290845D+00  0.119785D+00
      2   0.497237D+00 -0.717017D+00
      3  -0.717017D+00 -0.352808D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.186754D+01  0.691883D+00  0.345920D+01  0.928775D+01  0.179561D+01
      2  -0.648632D+00 -0.189284D+01  0.362461D+01 -0.397338D+01 -0.173472D+01
      3   0.154102D+02 -0.136480D+01 -0.136433D+01  0.126333D+02  0.129633D+01
                 6             7             8             9            10 
      1  -0.216767D+01  0.273568D+01  0.328370D+01  0.204633D-01 -0.235080D+01
      2   0.105650D+01 -0.368289D+01  0.879936D+00 -0.723772D+00 -0.540435D+00
      3  -0.530020D+01 -0.135638D+02 -0.192499D+01 -0.142509D+01 -0.376046D+02
                11            12            13            14            15 
      1  -0.332981D+00  0.141959D+01  0.296519D+01  0.442159D+01 -0.927840D+01
      2   0.567077D+00 -0.275435D+01  0.423553D+01 -0.421779D+00 -0.135864D-01
      3  -0.178758D+01  0.106789D+01  0.979229D+01 -0.200800D+01 -0.865580D+00
                16            17            18            19            20 
      1  -0.372301D+01 -0.192857D+01 -0.344757D+01 -0.190066D+01 -0.180110D+00
      2  -0.229665D+02 -0.169706D+01 -0.372423D+01 -0.105303D+01 -0.244034D+01
      3  -0.126443D+01 -0.106076D+01 -0.821705D+00 -0.155580D+02 -0.442569D+00
                21            22            23            24            25 
      1  -0.187315D+01 -0.492749D+01  0.211380D+01  0.845848D+00 -0.121949D+01
      2   0.791228D+01 -0.321983D+01  0.166337D+01 -0.226574D+01 -0.625359D+01
      3   0.286987D+01  0.161447D+02 -0.706040D+00  0.252278D+01 -0.108038D+02
                26            27            28            29            30 
      1   0.314335D+01  0.240869D+01  0.731631D-01  0.168923D+01 -0.266743D+01
      2  -0.907094D+00  0.160993D+01  0.336143D+01  0.770905D+00 -0.324762D+01
      3   0.341181D+01  0.212725D+01  0.322735D+02 -0.459764D+00 -0.239993D+01
                31            32            33            34            35 
      1  -0.846708D+00  0.381915D+01 -0.939933D+01 -0.518992D+01 -0.112833D+01
      2   0.437332D+01  0.631354D-01  0.265643D+01 -0.249547D+02  0.456199D+01
      3   0.641414D+01  0.509840D+01  0.135375D+01 -0.776884D+01 -0.102905D+01
                36            37            38            39            40 
      1  -0.280690D+01  0.621829D+00  0.543904D+00 -0.182527D+01  0.552942D+01
      2   0.149870D+01 -0.438563D+01 -0.187212D+01  0.374842D+01 -0.495662D+01
      3   0.181113D+01 -0.131078D+02 -0.466463D+00  0.314234D+01  0.775154D+01
                41            42            43            44            45 
      1  -0.190622D+01 -0.325401D+01  0.349186D+01  0.183768D+01 -0.186217D+01
      2  -0.197092D+01  0.989442D+00 -0.124344D+01  0.560049D+00 -0.259308D+01
      3   0.141829D+01 -0.291014D+01  0.196714D+02 -0.161471D+01 -0.436703D+01
                46            47            48            49            50 
      1   0.173810D+01 -0.167252D+01  0.139029D+01 -0.750302D+01 -0.218934D+01
      2   0.344367D+01 -0.278012D+01  0.947093D+01 -0.270838D+01  0.224759D+01
      3   0.198978D+02 -0.194164D+01  0.269377D+01  0.703700D+01 -0.177196D+01
                51            52            53            54            55 
      1  -0.208279D+01 -0.924277D+00  0.190692D+01 -0.508721D+00  0.134737D+01
      2  -0.350465D+01 -0.388408D+01 -0.129776D+01  0.309858D+01 -0.632662D+01
      3   0.291120D+01  0.151578D+02  0.386405D+00  0.244879D+01  0.236187D+02
                56            57            58            59            60 
      1   0.141413D+01 -0.273833D+00  0.343341D+01 -0.276835D+01  0.252276D+01
      2  -0.410124D+00 -0.298316D+01 -0.355228D+01 -0.112517D+02  0.857277D+01
      3   0.120185D+02 -0.157249D+00  0.392531D+02  0.993303D+01  0.780485D+01
                61            62            63            64            65 
      1  -0.544386D+00  0.750445D+01  0.380709D+01 -0.153495D+01  0.284269D-01
      2  -0.195996D+02  0.939750D+01  0.143677D+02  0.106119D+02 -0.288903D+00
      3   0.382786D+01  0.102897D+02 -0.536751D+01 -0.270511D+02 -0.157044D+02
                66            67            68            69            70 
      1  -0.804137D+00 -0.269872D+01 -0.204332D+01 -0.267209D+01  0.272792D+01
      2   0.658647D+01  0.397706D+01  0.141716D+02 -0.118799D+02 -0.933302D+00
      3   0.163295D+01 -0.260790D+02 -0.905812D+01 -0.122803D+02 -0.559967D+01
                71            72            73            74            75 
      1   0.539177D+01  0.179205D+01 -0.171231D+01 -0.590612D+01  0.866403D+00
      2  -0.101490D+02 -0.158461D+02 -0.171573D+02  0.499812D+01  0.252543D+01
      3  -0.136734D+02  0.813623D+01  0.167893D+02  0.875082D+01 -0.247291D+01
                76            77            78            79            80 
      1  -0.832128D+01  0.126773D+01 -0.133089D+02  0.744911D+00 -0.649872D+01
      2   0.615797D+01 -0.950209D+01  0.116798D+02  0.236468D+01  0.100766D+02
      3   0.163843D+02  0.216695D+01  0.151262D+02 -0.283637D+01  0.117717D+02
                81            82            83            84            85 
      1   0.319704D+01  0.562577D+01  0.392111D+01  0.161660D+01  0.587556D+01
      2   0.114544D+02  0.554836D+00 -0.369635D+01 -0.260919D+01 -0.708916D+01
      3  -0.100247D+02  0.237921D+02  0.412791D+01 -0.210338D+01  0.798165D+01
                86            87            88            89            90 
      1   0.874284D+01 -0.507952D+01  0.313594D+01  0.228942D+01 -0.149075D+02
      2  -0.133531D+02  0.111643D+02 -0.600185D+01  0.766562D+01  0.188784D+02
      3   0.223861D+01  0.933954D+01  0.884037D+00  0.106068D+02 -0.818280D+01
                91            92            93            94            95 
      1   0.164049D+01 -0.115332D+01  0.145278D+01  0.563165D+00 -0.153086D+01
      2  -0.986043D+01  0.140620D+00 -0.126068D+01 -0.520529D+00 -0.406163D+01
      3  -0.321827D+01 -0.750029D+00 -0.673374D+00  0.317321D+02 -0.153804D+02
                96            97            98            99           100 
      1  -0.229995D+01  0.110082D+01  0.508526D+01 -0.107219D-01  0.157254D+01
      2  -0.922625D+01 -0.158410D+02 -0.889630D+01  0.109344D+02  0.501352D+01
      3  -0.133049D+01  0.205155D+01 -0.918452D+00  0.620239D+01  0.121037D+02
               101           102           103           104           105 
      1   0.151973D+01 -0.346941D+01  0.109135D+01 -0.194392D+01  0.183075D+01
      2  -0.336304D+01  0.749627D+01 -0.136219D+01  0.527181D+01  0.173358D+02
      3  -0.140957D+02  0.145629D+01 -0.657401D+01 -0.689262D+00 -0.415538D+01
               106           107           108           109           110 
      1  -0.346742D+01 -0.157534D+01  0.462905D+01 -0.342856D+01 -0.206883D+01
      2  -0.105843D+01  0.127103D+02  0.864889D+01 -0.793672D+01  0.208083D+01
      3   0.981539D+01 -0.121137D+02 -0.971057D+01 -0.184548D+00 -0.743492D+00
               111           112           113           114           115 
      1   0.201330D+01 -0.200406D+01  0.433697D+01 -0.653704D+01  0.542757D+00
      2   0.418034D+01 -0.187008D+01 -0.103283D+02 -0.141339D+02  0.101777D+01
      3  -0.651515D-01 -0.368377D+01  0.195183D+02  0.119544D+02 -0.108391D+02
               116           117           118           119           120 
      1   0.688115D+01 -0.103952D+02  0.372015D+01 -0.733680D+00  0.427969D+00
      2  -0.120456D+02 -0.302093D+02  0.524009D+01 -0.448121D+00  0.177615D+01
      3   0.177618D+02  0.121685D+02 -0.347158D+01  0.410878D+01 -0.261943D+01
               121           122           123           124           125 
      1  -0.155614D+01  0.452107D+01 -0.151813D+01 -0.118276D+01  0.637834D+01
      2   0.514451D+00  0.318883D+01 -0.919062D+00 -0.141561D+01 -0.372824D+01
      3   0.844426D+01 -0.181323D+02 -0.140057D+01  0.215294D+01 -0.592562D+01
               126           127           128           129           130 
      1   0.756295D+01  0.294400D+01  0.130487D+01  0.273864D+01 -0.187983D+01
      2   0.147232D+02 -0.451474D+01 -0.374326D-01 -0.216683D+00  0.133585D+01
      3   0.490664D+01 -0.527959D+01 -0.100220D+01 -0.250245D+01  0.360950D+01
               131           132           133           134           135 
      1   0.213063D+00 -0.358593D+01  0.290697D+01  0.127702D+01  0.500766D+01
      2   0.250043D+00 -0.108209D+01 -0.254755D+01 -0.532946D+00  0.222189D+01
      3   0.640138D+00  0.917074D+00 -0.318205D+01 -0.150657D+01 -0.174744D+01
               136           137           138           139           140 
      1   0.201990D+01 -0.962469D+00 -0.250563D+01  0.981613D+00  0.102722D-01
      2   0.419548D+01  0.419999D+00 -0.108432D+01  0.569276D+00 -0.765509D-01
      3   0.292626D+01  0.143909D-02 -0.211862D+01  0.152569D+01 -0.277192D+00
               141           142           143           144           145 
      1  -0.350211D+01 -0.190772D+01  0.205722D+01  0.608072D+01 -0.392142D+01
      2   0.563464D+00 -0.448440D+01 -0.477305D+00 -0.500898D+00 -0.972122D+01
      3  -0.672082D+00 -0.266050D+01  0.775430D+00  0.218326D+01  0.140742D+01
               146           147           148           149           150 
      1   0.420884D+01 -0.779190D+00  0.267938D+01 -0.238119D+01 -0.571307D+00
      2   0.291733D+01 -0.132833D+01  0.405148D+01 -0.193099D+01  0.209400D+00
      3  -0.207279D+01  0.685084D+00 -0.219697D+00  0.163165D+01 -0.918410D-01
               151           152           153           154           155 
      1  -0.127326D+01  0.361958D+01 -0.311055D+01 -0.235884D+01 -0.208868D+01
      2  -0.399839D+01 -0.131319D+00  0.373493D+00  0.451720D+01  0.116338D+01
      3   0.349038D+00 -0.209235D+01  0.169944D+01 -0.692466D+00 -0.956013D+00
               156           157           158           159           160 
      1   0.121397D+01 -0.450503D+00 -0.118467D+01 -0.211462D+00  0.324266D+01
      2  -0.107952D+01  0.392830D+00 -0.351420D-02  0.465905D+00 -0.489805D+01
      3   0.942408D+00  0.869800D+00 -0.342220D+00  0.213891D+00  0.133167D+01
               161           162           163           164           165 
      1   0.531665D+01 -0.542722D+01 -0.128644D+01 -0.505324D+00  0.137366D+01
      2  -0.560431D+00 -0.206484D+01 -0.573187D+01  0.761818D+00  0.520466D+01
      3   0.220755D+01 -0.186866D+01 -0.113215D+01 -0.386690D+01  0.743336D+00
               166           167           168           169           170 
      1  -0.183589D+00 -0.209411D+00 -0.207309D+01  0.258276D+01  0.954155D+00
      2   0.162818D+01 -0.329955D+01 -0.481570D+01  0.492055D+01 -0.864191D+01
      3  -0.471782D+01  0.220520D+01  0.302506D+01  0.345647D+01  0.584391D+01
               171           172           173           174           175 
      1  -0.672707D+01  0.175687D+01 -0.122124D+01  0.172873D+01 -0.221128D+01
      2  -0.211659D+02  0.640297D+01 -0.236211D+01  0.475666D+01 -0.286781D+01
      3   0.417325D+01  0.210455D+01 -0.676879D+01  0.106270D+00 -0.503718D+01
               176           177           178           179           180 
      1   0.364717D+01 -0.449768D+01  0.175722D+01 -0.199486D+01  0.297277D+01
      2   0.726694D+01 -0.554973D+01  0.421640D+01 -0.649359D+01  0.450429D+01
      3   0.143543D+02 -0.401828D+01 -0.284724D+01 -0.879638D+01  0.372216D+01
               181           182           183           184           185 
      1   0.296709D+00 -0.502704D+00 -0.249778D+00  0.692820D-01  0.439941D+00
      2  -0.337226D+01  0.512635D+00  0.901743D+01 -0.398358D+00 -0.293391D+01
      3   0.573525D+01 -0.849040D+01 -0.795163D+00 -0.198726D+01  0.484962D+01
               186           187           188           189           190 
      1  -0.964685D+00 -0.482474D+00  0.955060D+00 -0.127286D+00 -0.212188D+01
      2   0.412885D-01  0.585631D+01  0.572859D+00 -0.630109D+00  0.199375D+02
      3   0.311033D+01  0.547415D+00  0.381352D+01 -0.743420D+00 -0.893334D+01
               191           192           193           194           195 
      1  -0.285096D+01  0.128743D+01 -0.187454D+01  0.830016D-01 -0.137706D+00
      2  -0.312665D+01 -0.767562D+01 -0.209297D+01  0.503105D+01  0.211546D+01
      3   0.390647D+01  0.394555D+01  0.517442D+01 -0.284653D+01 -0.314667D+01
               196           197           198           199           200 
      1   0.691716D+00  0.184200D+01 -0.375287D+00  0.331040D+01  0.495516D+01
      2  -0.752160D+01  0.106946D+01  0.475172D+01  0.201277D+01  0.236206D+00
      3   0.264272D+01 -0.182720D+01 -0.134355D+01 -0.858124D+01 -0.110866D+02
               201           202           203           204           205 
      1  -0.609242D+00  0.531393D+01  0.742673D+01  0.414902D-01  0.883661D+00
      2   0.605316D+01 -0.118122D+00  0.460997D+01  0.694435D+01  0.235675D+01
      3  -0.339169D+01 -0.981341D+01 -0.190186D+02 -0.886540D+01 -0.165464D+01
               206           207           208           209           210 
      1   0.272203D+01  0.653146D+00 -0.241695D+01  0.308390D+01 -0.194658D+01
      2   0.283515D+01  0.305025D+01  0.517347D+01 -0.124687D+01  0.483948D+01
      3  -0.503115D+01 -0.363598D+01  0.249228D+01 -0.581365D+01  0.309316D+01
               211           212           213           214           215 
      1   0.259784D+01 -0.940261D+01  0.520970D+01 -0.210543D+01  0.767297D+01
      2  -0.101824D+01  0.837723D+01 -0.135055D+02  0.118694D+01 -0.770445D+01
      3  -0.307979D+01  0.138736D+02 -0.950841D+01  0.244751D+01 -0.849282D+01
               216           217           218           219           220 
      1  -0.594155D+01  0.137331D+01 -0.689312D+00 -0.148692D+01 -0.361464D+00
      2   0.135755D+02 -0.427344D+01 -0.211473D+00  0.311814D+01 -0.447661D+00
      3   0.851052D+01 -0.213350D+01 -0.251351D+01 -0.965330D+00 -0.408964D+00
               221           222           223           224           225 
      1   0.194003D+01  0.222824D+01 -0.151184D+01  0.484445D+01  0.154429D+02
      2  -0.194996D+01 -0.496759D+01 -0.466552D+00  0.324744D+00 -0.302134D+02
      3   0.164273D+01  0.197667D+01 -0.127709D+01  0.474121D+01 -0.896659D+00
               226           227           228           229           230 
      1  -0.390895D+01 -0.425988D+01 -0.307827D+01 -0.525827D+01 -0.830281D+01
      2   0.328778D+01  0.231577D+01  0.536422D+01  0.342220D+01  0.378841D+01
      3  -0.677143D+01 -0.108721D+02  0.126891D+01 -0.645551D+01 -0.213345D+02
               231           232           233           234           235 
      1  -0.387831D+01 -0.213997D+01 -0.161682D+01 -0.933115D+00 -0.131758D+01
      2   0.374602D+01  0.329096D+01  0.269030D+01  0.419945D+00 -0.735901D+01
      3   0.312119D+00 -0.723003D+00 -0.505387D+01 -0.118786D+01 -0.212330D+02
               236           237           238           239           240 
      1   0.153015D+01  0.272120D+01 -0.397107D-01 -0.219229D+01 -0.860147D+00
      2   0.247796D+01 -0.149630D+01  0.305754D+01 -0.238297D+00 -0.467595D+00
      3   0.677445D+01 -0.125082D+00  0.609187D+01 -0.701645D+01 -0.420513D+00
               241           242           243           244           245 
      1   0.178046D+01  0.676604D+00  0.584104D-01  0.528650D-01 -0.386826D+00
      2  -0.312198D+01 -0.365124D+00 -0.164184D+01 -0.487222D+01 -0.329197D+00
      3   0.140815D+01 -0.245125D+01 -0.137697D+01 -0.298464D+01 -0.196951D+01
               246           247           248           249           250 
      1  -0.613769D+00 -0.132209D+00  0.197005D+00 -0.151284D+01 -0.637910D+00
      2   0.357658D+01  0.182336D+00 -0.292386D+01  0.491124D+01  0.864147D+00
      3  -0.476594D-01 -0.761370D+00 -0.193364D+01  0.298699D+01 -0.104093D+01
               251           252           253           254           255 
      1   0.222154D+01  0.251274D+01 -0.173977D+01  0.727296D+00 -0.218647D+01
      2   0.414766D+01 -0.158001D+02  0.172081D+02  0.408920D+01  0.783335D+01
      3   0.440659D+01 -0.295993D+01 -0.154680D+02 -0.111393D+02 -0.448036D+00
               256           257           258           259           260 
      1  -0.119256D+01 -0.588491D+01 -0.541834D+01 -0.107708D+01 -0.895551D+00
      2   0.366074D+01 -0.442002D-01  0.790407D+01  0.513536D+01  0.890523D+01
      3  -0.270950D+01  0.231013D+02  0.102505D+01  0.160251D+01 -0.224967D+01
               261           262           263           264           265 
      1   0.744674D+01  0.331726D-02  0.483490D+00  0.698983D+00  0.936870D+00
      2  -0.149719D+02  0.124370D+01 -0.772556D+00  0.142097D+01 -0.128022D+01
      3  -0.642808D+01  0.294078D+01 -0.358311D+01  0.138100D+01 -0.623032D+01
               266           267           268           269           270 
      1  -0.382247D+01 -0.304402D+01 -0.361797D+00  0.349602D+00 -0.359504D+00
      2   0.455575D+01 -0.535693D+01  0.295688D+00 -0.144646D+01  0.188982D+01
      3   0.268104D+02 -0.544042D+01 -0.542484D+00  0.152825D+01  0.177487D+01
               271           272           273           274           275 
      1  -0.177767D+01 -0.745975D+00  0.432675D+00 -0.837056D-01 -0.216601D+01
      2   0.479035D+01  0.246111D+00 -0.216062D+01  0.137487D+01  0.308394D+01
      3   0.211662D+01  0.911814D+00  0.909825D+00  0.644500D+00  0.589946D+00
               276           277           278           279           280 
      1   0.192577D+01 -0.201998D+00  0.446860D+01 -0.990161D+01  0.752360D+00
      2  -0.516210D+01 -0.256068D+01 -0.224819D+01  0.237820D+02 -0.881113D+01
      3  -0.260717D+01  0.127678D+01 -0.451081D+01  0.270260D+01  0.146398D+02
               281           282           283           284           285 
      1   0.755470D+00 -0.182092D+01  0.878628D+00  0.464745D+00  0.413211D-01
      2  -0.854595D-01  0.767809D+01 -0.590040D+00 -0.107784D+01 -0.135932D+01
      3  -0.642339D+01 -0.727445D+00 -0.414885D+01 -0.322171D+00  0.369356D+00
               286           287           288           289           290 
      1  -0.171036D+01  0.863830D+00 -0.510888D-01  0.106009D+01 -0.596666D+00
      2   0.407134D+01 -0.771417D+00 -0.651893D+00 -0.841458D+00 -0.162708D+01
      3  -0.125097D+01  0.163614D+01  0.201934D+01 -0.415147D+01  0.618574D+01
               291           292           293           294           295 
      1   0.134858D+01 -0.266873D+00  0.578049D+01 -0.368188D+01  0.644258D+00
      2  -0.139579D+01 -0.867731D+00  0.353317D+01  0.385337D+01 -0.158225D+01
      3   0.333439D+00  0.386186D+01 -0.312245D+02 -0.234690D+01 -0.768249D+00
               296           297 
      1  -0.376326D+00  0.583384D-02
      2   0.238989D+01  0.136532D+01
      3   0.109188D+01 -0.249840D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713817D+01  0.103682D+02 -0.226611D+02 -0.103676D+01 -0.131906D+02
      2   0.232008D+01 -0.730107D+01  0.738944D+01 -0.778468D+01  0.217133D+02
      3   0.481808D+01 -0.306714D+01  0.152716D+02  0.882144D+01 -0.852269D+01
      4   0.112962D+02 -0.253875D+00  0.592312D+01  0.886001D+01 -0.713720D+01
      5  -0.127007D+02  0.525545D+01 -0.524656D+00  0.908079D+01  0.390289D+01
      6   0.411817D+01  0.436324D+01 -0.504758D+01  0.226265D-01 -0.639986D+01
                 6             7             8             9            10 
      1   0.608512D+01  0.343103D+02 -0.311177D+01  0.109767D+02  0.491704D+02
      2  -0.124610D+02 -0.941432D+01 -0.923762D+00 -0.567471D+01 -0.233802D+02
      3   0.637589D+01 -0.248960D+02  0.403553D+01 -0.530200D+01 -0.257902D+02
      4   0.279267D+01 -0.425245D+01  0.468366D+00  0.662887D+01 -0.911019D+01
      5   0.701125D+01  0.668513D+01  0.687565D+01 -0.566679D+01 -0.643329D+01
      6   0.453070D+01  0.103504D+02 -0.323019D+01  0.692675D+01  0.268472D+01
                11            12            13            14            15 
      1   0.803898D+01 -0.167740D+01  0.128503D+02 -0.311753D+01  0.601693D+01
      2  -0.732844D+01  0.349136D+01 -0.141209D+02  0.806355D+01 -0.440342D+00
      3  -0.710543D+00 -0.181396D+01  0.127064D+01 -0.494603D+01 -0.557659D+01
      4   0.122750D+01 -0.288900D+01  0.144280D+02 -0.823840D+01 -0.102693D+01
      5  -0.344623D+01  0.924665D+01  0.137682D+02  0.450837D+00 -0.345577D+01
      6   0.132948D+01 -0.666633D+01 -0.401173D+01  0.455046D+01  0.823045D+01
                16            17            18            19            20 
      1  -0.697646D+01  0.683608D+01 -0.195273D+02  0.715837D+01 -0.124098D+02
      2  -0.258214D+01  0.352623D+01  0.294840D+01  0.735921D+00  0.107711D+02
      3   0.955860D+01 -0.103623D+02  0.165789D+02 -0.789429D+01  0.163865D+01
      4   0.156969D+02 -0.956448D-01 -0.259857D+01 -0.957996D+01 -0.241000D+00
      5  -0.157665D+02 -0.355371D+01 -0.194543D+01  0.139089D+02  0.195858D+01
      6  -0.486513D+01  0.250075D+01 -0.396644D+01 -0.149618D+01 -0.553381D+01
                21            22            23            24            25 
      1   0.213584D+02  0.388824D+01 -0.115358D+02 -0.539602D+01 -0.167056D+02
      2  -0.118432D+02  0.434538D+01  0.167524D+02 -0.101705D+02  0.131086D+01
      3  -0.951526D+01 -0.823363D+01 -0.521665D+01  0.155665D+02  0.153948D+02
      4   0.262758D+01  0.135171D+02  0.673653D+01 -0.272793D+01 -0.340591D+01
      5  -0.111298D+02 -0.133686D+01 -0.191408D+01 -0.119057D+01  0.955418D+01
      6   0.637290D+01 -0.935343D+00 -0.711800D+01  0.602057D+01 -0.992696D+01
                26            27            28            29            30 
      1  -0.412634D+01  0.852597D+01  0.170832D+02 -0.323312D+01  0.229961D+01
      2  -0.259144D+01 -0.856291D+00 -0.413016D+01  0.610238D+01  0.129252D+00
      3   0.671778D+01 -0.766968D+01 -0.129530D+02 -0.286927D+01 -0.242886D+01
      4  -0.136598D+01 -0.591153D+01  0.183853D+02  0.156503D+01 -0.196082D+01
      5  -0.598829D+01  0.724196D+01  0.342266D+01 -0.151005D+01  0.743006D+01
      6   0.100964D+01  0.751835D+01  0.358087D+01 -0.884916D+00  0.514268D+01
                31            32            33            34            35 
      1  -0.449266D+01 -0.101281D+01  0.768712D+01 -0.789700D+01  0.945777D+01
      2   0.906253D+01  0.492197D+01 -0.223971D+01  0.182274D+01  0.151614D+01
      3  -0.456987D+01 -0.390916D+01 -0.544741D+01  0.607427D+01 -0.109739D+02
      4   0.140761D+02  0.103549D+01  0.149560D+01  0.112865D+02  0.502907D+01
      5   0.128824D+02  0.216263D+00  0.941594D+00 -0.185167D+02  0.361429D+01
      6  -0.121082D+01  0.357206D+01  0.575255D+01 -0.955820D+00  0.168936D+01
                36            37            38            39            40 
      1  -0.185844D+02 -0.339267D+01  0.556073D+01 -0.235860D+02 -0.844859D+01
      2   0.356516D+01 -0.176630D+01 -0.198092D+01  0.636550D+01 -0.178677D+01
      3   0.150192D+02  0.515897D+01 -0.357981D+01  0.172205D+02  0.102354D+02
      4   0.215036D+01  0.579201D+01 -0.164828D+01  0.284403D+01  0.385027D+01
      5   0.149227D+01 -0.167201D+02  0.250419D+01 -0.195588D+01  0.122688D+01
      6  -0.626895D+01  0.264067D+01  0.456511D+01  0.522437D+01  0.313490D+01
                41            42            43            44            45 
      1  -0.563638D+01 -0.614631D+01  0.208948D+02 -0.905231D+01  0.719850D+01
      2   0.581118D+01  0.386811D+00  0.296183D+00  0.194551D+01 -0.160232D+01
      3  -0.174793D+00  0.575950D+01 -0.211909D+02  0.710680D+01 -0.559619D+01
      4   0.182954D+00  0.384089D+01  0.198396D+01  0.370492D+01  0.610337D+01
      5   0.200821D+01  0.819477D+01  0.112654D+02  0.519954D+01 -0.613103D+01
      6   0.301347D+01  0.828669D+01  0.106589D+02  0.175515D+01  0.104286D+02
                46            47            48            49            50 
      1  -0.358109D-01 -0.896874D+01  0.202765D+02  0.112665D+02 -0.277096D+01
      2   0.653853D+01  0.368602D+01 -0.727425D+01 -0.291797D+01  0.262052D+01
      3  -0.650271D+01  0.528272D+01 -0.130023D+02 -0.834853D+01  0.150446D+00
      4  -0.393256D+01  0.254363D+01 -0.160059D+01  0.777090D+01  0.397513D+01
      5   0.197474D+02  0.139454D+00 -0.815341D+01 -0.833410D+01 -0.405951D+01
      6   0.613986D+00 -0.330455D+01  0.964968D+00 -0.214995D+01  0.446120D+01
                51            52            53            54            55 
      1  -0.174595D+02 -0.209926D+02 -0.940848D+01  0.520966D+01 -0.268917D+02
      2   0.264628D+01  0.306720D+01  0.279120D+01  0.423391D+01  0.124898D+02
      3   0.148132D+02  0.179254D+02  0.661728D+01 -0.944357D+01  0.144018D+02
      4  -0.456457D+01  0.317450D+01 -0.226846D+01 -0.479524D+01 -0.789573D+01
      5  -0.339958D+01  0.970460D+01 -0.384734D+01  0.575351D+01 -0.534821D+01
      6   0.131697D+02 -0.611697D+01  0.532222D+01  0.131227D+02  0.131684D+01
                56            57            58            59            60 
      1  -0.107584D+02 -0.509524D+01 -0.326376D+02 -0.244815D+02  0.125892D+01
      2   0.769640D+01  0.106119D+00  0.231822D+02  0.655168D+01  0.574403D+01
      3   0.306196D+01  0.498912D+01  0.945537D+01  0.179298D+02 -0.700294D+01
      4  -0.258744D+02  0.115138D+01 -0.459088D+02  0.106782D+02 -0.146097D+02
      5   0.684448D+00 -0.123440D+02 -0.970165D+00 -0.143966D+02  0.155383D+02
      6   0.370512D-01  0.206971D+01  0.577326D-01  0.418300D+01 -0.539289D+01
                61            62            63            64            65 
      1  -0.143292D+02  0.330964D+00 -0.344962D+01 -0.839661D+02  0.282074D+02
      2  -0.120144D+01  0.749951D+01  0.637534D+01  0.454358D+02 -0.130718D+02
      3   0.155306D+02 -0.783047D+01 -0.292572D+01  0.385304D+02 -0.151356D+02
      4  -0.944957D+00 -0.188937D+02  0.255117D+02  0.268432D+02  0.222390D+02
      5  -0.241667D+02  0.221990D+02  0.328661D+02  0.217742D+02 -0.239426D+01
      6   0.107032D+02 -0.596781D+01 -0.104116D+02  0.938497D+00 -0.271734D+01
                66            67            68            69            70 
      1   0.215874D+02  0.604840D+02  0.235323D+02 -0.687127D+01  0.324559D+02
      2  -0.123565D+02 -0.280948D+02 -0.111328D+02  0.742848D+01 -0.134126D+02
      3  -0.923089D+01 -0.323893D+02 -0.123996D+02 -0.557212D+00 -0.190433D+02
      4  -0.142308D+01  0.303711D+02  0.100042D+02  0.214081D+02  0.318409D+01
      5   0.682868D+01 -0.111337D+01  0.228470D+02 -0.212068D+02  0.105225D+01
      6   0.167483D+01  0.139441D+01  0.598555D+01 -0.445900D+01 -0.273557D+01
                71            72            73            74            75 
      1  -0.310435D+01  0.404697D+01  0.369535D+02 -0.215457D+02 -0.172030D+02
      2   0.707416D+01 -0.191085D+01 -0.197614D+02  0.437754D+01  0.986606D+01
      3  -0.396981D+01 -0.213612D+01 -0.171921D+02  0.171682D+02  0.733696D+01
      4   0.208613D+02 -0.169380D+02 -0.198628D+02 -0.304075D+02 -0.514151D+01
      5  -0.174660D+02 -0.294494D+02 -0.940745D+01 -0.730610D+01 -0.170535D+02
      6  -0.536912D+01 -0.470971D+01 -0.139058D+02 -0.882315D+01 -0.527216D+00
                76            77            78            79            80 
      1  -0.282621D+02 -0.253056D+02 -0.143661D+01 -0.205623D+02  0.966652D+00
      2   0.578501D+01  0.164485D+02 -0.120358D+02  0.103596D+02 -0.117728D+02
      3   0.224771D+02  0.885717D+01  0.134724D+02  0.102027D+02  0.108061D+02
      4  -0.387740D+02 -0.132050D+02 -0.340365D+02 -0.173235D+01 -0.249985D+02
      5  -0.774800D+01 -0.404262D+02  0.221692D+02 -0.978983D+01  0.200626D+02
      6  -0.138030D+02 -0.591203D+01 -0.944617D+01  0.189351D+01 -0.749758D+01
                81            82            83            84            85 
      1  -0.105540D+02  0.356519D+02 -0.202161D+02 -0.112800D+02 -0.303002D+02
      2   0.773147D+00 -0.343176D+02 -0.429729D+00  0.521424D+01  0.154194D+01
      3   0.978081D+01 -0.133434D+01  0.206458D+02  0.606571D+01  0.287583D+02
      4   0.174655D+02 -0.168645D+02 -0.368703D+02 -0.307150D+00 -0.394662D+02
      5   0.127194D+02 -0.137864D+02  0.572775D+01 -0.546703D+01  0.378966D+01
      6   0.132843D+02  0.127059D+01  0.435007D+01 -0.311080D+01  0.315570D+01
                86            87            88            89            90 
      1  -0.264800D+02  0.844540D+01 -0.124167D+02  0.281188D+01 -0.479700D+00
      2   0.189672D+00 -0.542959D+01  0.671838D+00 -0.645930D+01  0.230015D+02
      3   0.262903D+02 -0.301581D+01  0.117449D+02  0.364742D+01 -0.225218D+02
      4  -0.314161D+02 -0.139721D+02 -0.984088D+01 -0.209354D+02  0.116919D+02
      5  -0.117890D+02  0.209231D+02 -0.387242D+01  0.149750D+02  0.447132D+02
      6  -0.589058D+01  0.107221D+02 -0.120262D+01  0.102740D+02  0.905248D+01
                91            92            93            94            95 
      1   0.582800D+01 -0.412757D+01 -0.684375D+01 -0.515765D+01 -0.157777D+02
      2  -0.501486D+01 -0.678221D+00  0.151366D+01  0.589965D+01  0.817614D+01
      3  -0.813137D+00  0.480579D+01  0.533009D+01 -0.741997D+00  0.760153D+01
      4  -0.160638D+02 -0.131813D+02 -0.430930D+01 -0.338149D+02  0.153169D+02
      5  -0.166243D+02 -0.262976D+01 -0.972696D+01 -0.103386D+02 -0.531016D+01
      6  -0.137279D+00 -0.524575D+01 -0.623737D+01 -0.138204D+01  0.188860D+01
                96            97            98            99           100 
      1  -0.699853D+01 -0.167215D+02 -0.815385D+01 -0.427924D+01  0.626007D+01
      2   0.285687D+01  0.298347D+01 -0.359417D+00  0.618458D+01 -0.235601D+01
      3   0.414166D+01  0.137381D+02  0.851326D+01 -0.190534D+01 -0.390407D+01
      4  -0.524318D+01 -0.181586D+02 -0.593536D+01 -0.206206D+02  0.969804D+01
      5  -0.180781D+02 -0.187227D+02 -0.194277D+02  0.213218D+02  0.116038D+02
      6  -0.273951D+01 -0.901975D+01 -0.468284D+01  0.760405D+01 -0.583249D+01
               101           102           103           104           105 
      1   0.285158D+01  0.466717D+01  0.145339D+02  0.563745D+01  0.186839D+01
      2  -0.505450D+00 -0.316027D+01 -0.125709D+02 -0.126145D+01  0.374839D+01
      3  -0.234613D+01 -0.150691D+01 -0.196306D+01 -0.437600D+01 -0.561679D+01
      4   0.202221D+00 -0.378580D+01 -0.329776D+01 -0.703678D+01  0.948097D+01
      5  -0.499584D+01 -0.381685D+01 -0.116382D+02  0.116074D+02  0.335131D+02
      6   0.359802D+01  0.699629D+01  0.540628D+01 -0.109296D+02 -0.195536D+02
               106           107           108           109           110 
      1   0.140872D+02  0.334741D+00  0.966539D+00  0.180912D+02 -0.134767D+02
      2  -0.971252D+00 -0.901499D+01  0.264611D+01 -0.107256D+02  0.607082D+01
      3  -0.131159D+02  0.868025D+01 -0.361265D+01 -0.736559D+01  0.740583D+01
      4  -0.120566D+02  0.253100D+02  0.238147D+02 -0.187390D+02  0.171551D+02
      5  -0.208809D+02  0.247383D+02  0.175233D+02 -0.272750D+02  0.890532D+01
      6   0.129394D+02 -0.227156D+02 -0.128624D+02  0.112707D+02 -0.275842D+01
               111           112           113           114           115 
      1  -0.208068D+02 -0.139858D+02 -0.809776D+01 -0.686046D+01 -0.261103D+02
      2   0.134492D+02  0.385615D+01  0.175595D+02  0.426353D+01  0.152357D+02
      3   0.735768D+01  0.101296D+02 -0.946173D+01  0.259693D+01  0.108746D+02
      4   0.117771D+02  0.277280D+02 -0.344533D+02 -0.234290D+02  0.242427D+02
      5   0.206948D+02  0.177660D+02 -0.257101D+02 -0.289792D+02  0.357101D+02
      6  -0.493755D+01 -0.802341D+01  0.243233D+02  0.268420D+02 -0.139912D+02
               116           117           118           119           120 
      1  -0.548818D+01 -0.654199D+01  0.727377D+01 -0.331088D+01  0.115024D+02
      2   0.752033D+01 -0.140949D+02 -0.706201D+01  0.778077D+01 -0.766983D+01
      3  -0.203215D+01  0.206368D+02 -0.211764D+00 -0.446988D+01 -0.383260D+01
      4  -0.328592D+02 -0.256227D+02  0.148164D+01 -0.666261D+01 -0.342333D+01
      5  -0.286551D+02 -0.649238D+02  0.101939D+02  0.963383D+00  0.768136D+01
      6   0.278838D+02  0.364547D+02 -0.367733D+01 -0.173266D+01 -0.156403D+01
               121           122           123           124           125 
      1   0.560916D+00 -0.367117D+01  0.303877D+01  0.171031D+02  0.148329D+01
      2   0.961249D+01 -0.171492D+02 -0.355430D+00 -0.930150D+01 -0.269079D+01
      3  -0.101734D+02  0.208204D+02 -0.268334D+01 -0.780158D+01  0.120749D+01
      4  -0.166295D+02  0.442390D+02  0.600787D+00 -0.948239D+01  0.106912D+02
      5   0.113516D+01  0.185267D+00 -0.227578D+01  0.165631D+02 -0.102523D+02
      6  -0.395084D+01  0.341276D+01  0.722816D+01 -0.431899D+01  0.134516D+02
               126           127           128           129           130 
      1  -0.198805D+01  0.266279D+01  0.242419D+01 -0.128971D+01 -0.334448D+00
      2  -0.703428D+01 -0.250836D+01 -0.278069D+01 -0.179580D+01  0.910927D+00
      3   0.902233D+01 -0.154431D+00  0.356494D+00  0.308551D+01 -0.576479D+00
      4  -0.961012D+01 -0.984153D+01  0.745028D+01 -0.783532D+01  0.510549D+01
      5   0.294760D+02  0.151697D+02 -0.541977D+01  0.137299D+02 -0.745035D+01
      6  -0.169360D+02 -0.831176D+01  0.581313D+01 -0.843869D+01  0.524381D+01
               131           132           133           134           135 
      1  -0.362172D+01  0.461083D+01 -0.359569D+01  0.788193D+01 -0.140177D+02
      2   0.201491D+01 -0.113462D+00 -0.198419D+01 -0.437925D+01 -0.208101D+01
      3   0.160681D+01 -0.449737D+01  0.557988D+01 -0.350268D+01  0.160988D+02
      4  -0.545826D+01  0.552983D+01 -0.832126D+01  0.750104D+01 -0.103321D+02
      5   0.486980D+01 -0.813342D+01  0.149492D+02 -0.751041D+01  0.201245D+02
      6  -0.613356D+01  0.845558D+01 -0.102090D+02  0.119334D+02 -0.185065D+02
               136           137           138           139           140 
      1  -0.278419D+01 -0.178669D+01  0.552516D+01 -0.214482D+01 -0.423135D+01
      2  -0.252488D+01  0.496147D+00  0.273744D+01 -0.479974D+00  0.108197D+01
      3   0.530907D+01  0.129054D+01 -0.826261D+01  0.262479D+01  0.314939D+01
      4   0.526360D+01  0.354323D+01 -0.529143D+01  0.218598D+01  0.168606D+01
      5  -0.852110D+01 -0.324560D+01  0.110678D+02 -0.292707D+01 -0.232402D+01
      6  -0.579242D+01 -0.353946D+01  0.633319D+01 -0.273057D+01 -0.502165D+01
               141           142           143           144           145 
      1   0.770042D+01  0.698222D+01  0.103021D+02 -0.277767D+02  0.489941D+01
      2   0.407015D+00  0.200670D+01 -0.314641D+01 -0.538819D+01 -0.527256D+01
      3  -0.810744D+01 -0.898892D+01 -0.715573D+01  0.331648D+02  0.373147D+00
      4  -0.259151D+01 -0.563185D+01 -0.498310D+01  0.770201D+01 -0.406535D+01
      5   0.335200D+01  0.102261D+02  0.470100D+01 -0.158576D+02  0.115244D+02
      6   0.823471D+01  0.824284D+01  0.124883D+02 -0.231088D+02 -0.100920D+01
               146           147           148           149           150 
      1  -0.109000D+01 -0.156646D+01 -0.121206D+01 -0.919523D-01  0.513960D+01
      2   0.637240D+00 -0.470829D+01  0.185045D+01 -0.393421D+00  0.278957D+01
      3   0.452759D+00  0.627476D+01 -0.638390D+00  0.485373D+00 -0.792918D+01
      4   0.558137D+01 -0.468073D+00  0.491898D+01 -0.465548D+01  0.622242D+00
      5  -0.271865D+01  0.999611D+01 -0.442745D+01  0.296888D+01 -0.619003D+01
      6   0.229777D+01 -0.659434D+00  0.104293D+01 -0.302103D+01  0.174530D+01
               151           152           153           154           155 
      1  -0.359173D+01  0.443589D+01 -0.127834D+02  0.108229D+00  0.738528D+00
      2  -0.627025D+01  0.149138D+01 -0.942630D+01 -0.548438D+01 -0.146128D+01
      3   0.986198D+01 -0.592726D+01  0.222097D+02  0.537615D+01  0.722756D+00
      4   0.249365D+00  0.183526D+01 -0.180937D+01  0.124925D+01  0.253187D+01
      5   0.126262D+02 -0.401718D+01  0.157500D+02 -0.949156D+01 -0.212345D+01
      6  -0.123333D+01  0.455970D+01 -0.290662D+01  0.790862D+00 -0.160233D+01
               156           157           158           159           160 
      1   0.273088D+01 -0.175644D+01 -0.242280D+01  0.646107D+01  0.321685D+01
      2   0.571380D+01 -0.636947D+00 -0.665846D+00  0.294143D+01  0.728962D+01
      3  -0.844468D+01  0.239339D+01  0.308865D+01 -0.940250D+01 -0.105065D+02
      4  -0.348603D+00  0.155015D+01  0.108277D+01 -0.123219D+01 -0.175103D+01
      5   0.119132D+02 -0.215820D+01 -0.242781D+01  0.360185D+01  0.126557D+02
      6  -0.152506D+01 -0.953593D+00 -0.242999D+01  0.147523D+01  0.159385D+00
               161           162           163           164           165 
      1   0.310811D+01 -0.217902D+02  0.896566D+01 -0.250183D+01 -0.829394D+01
      2   0.229168D+01 -0.158880D+02 -0.725716D+01  0.718334D+00  0.595626D+01
      3  -0.539979D+01  0.376782D+02 -0.170850D+01  0.178350D+01  0.233768D+01
      4  -0.333321D+01  0.188098D+01 -0.618853D+01  0.989672D+01  0.640759D+01
      5   0.385112D+01 -0.203673D+02 -0.150415D+02  0.461873D+01  0.150983D+02
      6   0.510475D+01  0.255997D+00  0.447870D+01 -0.188425D+01 -0.327992D+01
               166           167           168           169           170 
      1   0.359909D+01  0.123153D+01 -0.235747D+01 -0.160782D+02 -0.401391D+01
      2  -0.289135D+01  0.698471D+00  0.114425D+01  0.132303D+02  0.937168D+00
      3  -0.707742D+00 -0.193000D+01  0.121322D+01  0.284782D+01  0.307674D+01
      4   0.117740D+02 -0.985252D+01 -0.912056D+01  0.127001D+02 -0.150394D+02
      5   0.488142D+01 -0.905992D+01 -0.983545D+01  0.267888D+02 -0.182447D+02
      6  -0.330643D+01  0.618749D+01  0.901836D+01 -0.908276D+01  0.117094D+02
               171           172           173           174           175 
      1  -0.303573D+01  0.189880D+02 -0.939737D+01  0.629136D+01 -0.108456D+02
      2  -0.108801D+02 -0.388128D+01 -0.473446D+00 -0.169006D+01 -0.324466D+01
      3   0.139158D+02 -0.151067D+02  0.987082D+01 -0.460130D+01  0.140903D+02
      4  -0.214422D+02 -0.211082D+02  0.237664D+02 -0.557093D+01  0.310726D+02
      5  -0.469131D+02  0.904292D+01 -0.357699D+01  0.760718D+01 -0.509412D+01
      6   0.184571D+02 -0.302171D+01  0.704654D+00 -0.188410D+01  0.227977D+01
               176           177           178           179           180 
      1   0.374684D+01 -0.520115D+00  0.178333D+02 -0.325285D+00  0.247446D+01
      2   0.163269D+02 -0.413331D+01 -0.481628D+01 -0.685447D+01  0.189497D+00
      3  -0.200738D+02  0.465342D+01 -0.130170D+02  0.717975D+01 -0.266396D+01
      4  -0.435387D+02  0.118586D+02 -0.146812D+02  0.225239D+02 -0.136405D+02
      5   0.108160D+02 -0.902065D+01  0.105374D+02 -0.119529D+02  0.824081D+01
      6  -0.465663D+01  0.557519D+01 -0.440263D+01  0.628109D+01 -0.432134D+01
               181           182           183           184           185 
      1   0.137872D+03 -0.166670D+02 -0.155410D+02 -0.255234D+02  0.134108D+02
      2  -0.700217D+02  0.868872D+01  0.771322D+01  0.127034D+02 -0.512790D+01
      3  -0.678501D+02  0.797831D+01  0.782776D+01  0.128200D+02 -0.828289D+01
      4  -0.126235D+02  0.138115D+02  0.149990D+01  0.161805D+02 -0.867283D+01
      5  -0.179533D+02  0.212410D+01  0.164616D+02  0.201272D+01 -0.580678D+01
      6   0.633842D+00 -0.107090D+01  0.131072D+01 -0.123113D+01 -0.106886D+00
               186           187           188           189           190 
      1   0.264960D+01 -0.185699D+02  0.186328D+01  0.158407D+02 -0.470497D+02
      2  -0.194151D+01  0.103559D+02 -0.181617D+01 -0.966547D+01  0.231887D+02
      3  -0.708096D+00  0.821398D+01 -0.471089D-01 -0.617524D+01  0.238610D+02
      4  -0.535958D+01  0.318463D+00 -0.521349D+01 -0.103552D+00 -0.596033D+01
      5  -0.556759D+00  0.218426D+02 -0.379131D+00 -0.435263D+01 -0.114324D+02
      6   0.227813D+01  0.256097D+00  0.243082D+01  0.688808D+00  0.510291D+01
               191           192           193           194           195 
      1   0.847850D+01  0.127256D+02  0.558388D+01 -0.867956D+01 -0.580655D+01
      2  -0.510067D+01 -0.162806D+01 -0.289216D+01  0.527402D+01  0.358332D+01
      3  -0.337783D+01 -0.110975D+02 -0.269172D+01  0.340554D+01  0.222324D+01
      4  -0.375651D+01 -0.169645D+01  0.380380D+00  0.260775D+01  0.472874D+01
      5  -0.181126D+01 -0.793763D+01 -0.390475D+00  0.368423D+01  0.157064D+00
      6  -0.564385D+01 -0.661976D+01 -0.270959D+01  0.374822D+01  0.470585D+01
               196           197           198           199           200 
      1   0.823629D+01 -0.372277D+01 -0.965713D+01  0.313098D+02  0.194388D+02
      2  -0.139476D+01  0.191244D+01  0.112994D+01 -0.133823D+02 -0.473378D+01
      3  -0.684153D+01  0.181034D+01  0.852720D+01 -0.179275D+02 -0.147050D+02
      4  -0.259680D+00  0.313577D+01 -0.148724D+01  0.317487D+02  0.303284D+02
      5   0.645692D+00 -0.144884D+01  0.253411D+01  0.250006D+02  0.158963D+02
      6  -0.361380D+01  0.388314D+01  0.198122D+01  0.116818D+02  0.110579D+02
               201           202           203           204           205 
      1   0.119560D+02  0.244608D+02  0.143597D+02  0.547675D+01  0.697704D+01
      2  -0.858903D+01 -0.631744D+01  0.323997D+01 -0.291203D+01 -0.581341D+01
      3  -0.336694D+01 -0.181433D+02 -0.175997D+02 -0.256472D+01 -0.116364D+01
      4   0.126791D+02  0.381151D+02  0.470225D+02  0.221989D+02  0.931341D+01
      5   0.207481D+02  0.230829D+02  0.260434D+02  0.206950D+02  0.168594D+02
      6   0.767087D+01  0.144261D+02  0.200972D+02  0.143099D+02  0.675895D+01
               206           207           208           209           210 
      1   0.193205D+01  0.621085D+01  0.985625D+01 -0.611548D+01  0.113420D+02
      2  -0.163357D+01 -0.514680D+01 -0.856510D+01  0.555162D+01 -0.104537D+02
      3  -0.298484D+00 -0.106405D+01 -0.129115D+01  0.563854D+00 -0.888295D+00
      4   0.118551D+02  0.111803D+02 -0.666694D+01  0.120807D+02 -0.535763D+01
      5   0.116367D+02  0.135170D+02  0.161077D+02 -0.768930D+01  0.178411D+02
      6   0.986369D+01  0.702039D+01 -0.146344D+01  0.419134D+01 -0.163435D+01
               211           212           213           214           215 
      1  -0.118740D+02  0.608752D+01 -0.341739D+01  0.105659D+02 -0.130018D+01
      2   0.106847D+02 -0.848647D+01  0.142711D+02 -0.112024D+02  0.947948D+01
      3   0.118923D+01  0.239896D+01 -0.108537D+02  0.636534D+00 -0.817931D+01
      4   0.126247D+02 -0.259061D+02  0.203313D+02 -0.536137D+01  0.159221D+02
      5  -0.156576D+02  0.231420D+02 -0.320437D+02  0.187583D+02 -0.186084D+02
      6   0.485678D+01 -0.119367D+02  0.886666D+01 -0.218100D+01  0.911791D+01
               216           217           218           219           220 
      1   0.230993D+01  0.122453D+01  0.182192D+01 -0.802896D+01 -0.149346D+01
      2  -0.182732D+02 -0.278671D+01  0.554700D+00  0.670524D+01  0.273764D+01
      3   0.159632D+02  0.156217D+01 -0.237662D+01  0.132372D+01 -0.124419D+01
      4  -0.168229D+02  0.282538D+01  0.637414D+01 -0.260737D+01  0.406108D+01
      5   0.349552D+02 -0.103154D+02 -0.107596D+01  0.136202D+02  0.160622D+01
      6  -0.727096D+01 -0.248370D+01 -0.140596D+01  0.198723D+01 -0.783204D+00
               221           222           223           224           225 
      1   0.751473D+00 -0.100474D+00 -0.912883D+01  0.176913D+01 -0.112538D+02
      2  -0.191837D+01 -0.505900D+01  0.894818D+01 -0.413784D+01 -0.246751D+02
      3   0.116690D+01  0.515947D+01  0.180652D+00  0.236871D+01  0.359289D+02
      4  -0.643137D+00 -0.454783D+01 -0.510178D+01 -0.908480D+01  0.308822D+01
      5  -0.541613D+01 -0.105516D+02  0.170855D+02  0.226304D+01 -0.657557D+02
      6   0.352641D+00  0.273179D+01  0.425026D+01  0.736411D+01 -0.225563D+02
               226           227           228           229           230 
      1   0.246335D+02  0.180110D+02  0.174782D+01  0.184483D+02  0.982843D+01
      2  -0.265281D+00  0.568534D+01  0.186636D+00  0.710819D+01  0.261128D+02
      3  -0.243682D+02 -0.236963D+02 -0.193445D+01 -0.255565D+02 -0.359412D+02
      4   0.371010D+02  0.412707D+02 -0.155872D+01  0.443513D+02  0.650190D+02
      5  -0.363554D+01 -0.524729D+01  0.941155D+01 -0.549856D+01 -0.468216D+01
      6  -0.309271D+01 -0.475637D+01  0.534097D+01 -0.473529D+01 -0.818056D+01
               231           232           233           234           235 
      1  -0.251638D+00  0.654696D+01  0.161919D+01  0.333736D+01 -0.388105D+02
      2   0.101463D+01  0.264088D+00  0.500763D+01 -0.126803D+01  0.268161D+02
      3  -0.762990D+00 -0.681105D+01 -0.662682D+01 -0.206934D+01  0.119944D+02
      4  -0.146570D+01  0.772459D+01  0.124695D+02  0.681763D+01 -0.959301D+01
      5   0.721920D+01  0.683980D+01  0.534549D+01 -0.103921D+01  0.100138D+02
      6   0.630659D+01  0.393821D+01  0.429143D+01  0.515954D+00 -0.609047D+00
               236           237           238           239           240 
      1   0.156819D+02  0.295993D+00  0.153052D+02 -0.712314D+01 -0.409626D+00
      2  -0.144814D+02 -0.126313D+01 -0.951763D+01  0.111595D+02  0.459606D+00
      3  -0.120048D+01  0.967133D+00 -0.578757D+01 -0.403635D+01 -0.499801D-01
      4  -0.241974D+01  0.269150D+01  0.855448D+01  0.798011D+01 -0.268138D+00
      5  -0.198403D+00 -0.569905D+01 -0.374167D+01  0.101063D+01  0.134897D-01
      6   0.321610D+01 -0.474425D+01  0.221201D+00 -0.217194D+01  0.125009D+01
               241           242           243           244           245 
      1   0.443515D+01 -0.284463D+01 -0.531037D+01  0.213591D+01  0.376325D+01
      2  -0.296107D+01  0.354072D+01  0.278532D+00 -0.358557D+01 -0.193062D+01
      3  -0.147409D+01 -0.696095D+00  0.503184D+01  0.144966D+01 -0.183262D+01
      4   0.930198D+00  0.334177D+01 -0.157740D+01  0.623472D+01  0.643132D+01
      5  -0.126291D+01 -0.222019D+00 -0.257878D+01 -0.102787D+02 -0.240701D+01
      6  -0.241030D+01  0.123826D+01 -0.323337D+00 -0.419208D+01 -0.576707D+00
               246           247           248           249           250 
      1  -0.572431D+01  0.442306D+01 -0.105831D+00  0.201494D+01 -0.800400D+01
      2   0.426240D+01 -0.193223D+01  0.955202D+00 -0.127323D+01  0.738592D+01
      3   0.146191D+01 -0.249083D+01 -0.849371D+00 -0.741715D+00  0.618085D+00
      4  -0.330078D+01  0.977259D+01  0.627132D+01 -0.723513D+01 -0.590518D+01
      5   0.112743D+02 -0.340802D+01 -0.742160D+01  0.100297D+02  0.155747D+02
      6   0.242498D+01 -0.203664D+01 -0.575698D+01  0.756709D+01  0.399306D+01
               251           252           253           254           255 
      1   0.214520D+01 -0.445406D+01 -0.771624D+02 -0.355608D+01  0.792809D+01
      2   0.644798D+00 -0.926284D+01  0.391317D+02  0.898170D+01 -0.555276D+01
      3  -0.279000D+01  0.137169D+02  0.380306D+02 -0.542562D+01 -0.237533D+01
      4  -0.104435D+02  0.102711D+02 -0.758609D+01  0.231855D+02  0.995577D+01
      5   0.899565D+01 -0.340119D+02  0.115578D+02  0.721964D+01  0.132064D+02
      6   0.742220D+01 -0.123873D+02  0.839513D+01  0.542289D+01  0.474549D+01
               256           257           258           259           260 
      1   0.151327D+02  0.323153D+02  0.262774D+01  0.276209D+02  0.346142D+01
      2  -0.448734D+01 -0.363383D+02 -0.644315D+01 -0.119703D+02 -0.302355D+01
      3  -0.106454D+02  0.402297D+01  0.381541D+01 -0.156506D+02 -0.437877D+00
      4   0.254659D+02 -0.267799D+02  0.490456D+01  0.196384D+02  0.138700D+02
      5   0.114046D+02  0.746461D+01  0.167949D+02  0.191088D+02  0.185152D+02
      6   0.577399D+01 -0.389464D+01  0.553275D+01  0.805309D+01  0.762619D+01
               261           262           263           264           265 
      1   0.146285D+02  0.646971D+01 -0.795122D+01  0.241033D+01 -0.678853D+01
      2   0.563829D+01  0.177230D+01 -0.103976D+01 -0.815590D-01 -0.792509D+01
      3  -0.202668D+02 -0.824201D+01  0.899098D+01 -0.232877D+01  0.147136D+02
      4   0.216409D+02 -0.136036D+02  0.168573D+02 -0.381701D+01  0.274522D+02
      5  -0.184374D+02  0.484430D+01 -0.405922D+01  0.345779D+01 -0.740844D+01
      6  -0.301105D+01 -0.308890D+01  0.291908D+01 -0.144278D+01  0.578917D+01
               266           267           268           269           270 
      1  -0.527879D+01  0.616803D+00  0.410883D+00  0.962022D+00 -0.706325D+00
      2   0.333509D+02 -0.557164D+01 -0.197795D+01  0.343645D+01  0.145656D+01
      3  -0.280721D+02  0.495484D+01  0.156706D+01 -0.439847D+01 -0.750232D+00
      4  -0.593566D+02  0.124906D+02  0.176870D+01 -0.368017D+01 -0.401380D+01
      5   0.134737D+02 -0.106599D+02  0.289985D+01 -0.409875D+01  0.462569D+01
      6  -0.140764D+02  0.785912D+01 -0.169106D+01  0.445176D+01 -0.301507D+01
               271           272           273           274           275 
      1   0.439316D+01 -0.689296D+00  0.523157D+01 -0.740637D+01 -0.560276D+01
      2  -0.500677D+01 -0.715961D+00 -0.188417D+01  0.377256D+01  0.268641D+01
      3   0.613610D+00  0.140526D+01 -0.334740D+01  0.363381D+01  0.291635D+01
      4  -0.209827D+01 -0.350430D+01 -0.390155D+00 -0.326222D+01 -0.215555D+01
      5   0.255414D+01 -0.172599D+01 -0.142630D+00 -0.461336D+01  0.338077D+01
      6  -0.638700D+00 -0.163564D+01 -0.121573D+01 -0.938614D+00 -0.319761D+00
               276           277           278           279           280 
      1  -0.433517D+00  0.109007D+02 -0.875024D-01 -0.112399D+02  0.124700D+03
      2   0.479443D+01 -0.722101D+01  0.420399D+01 -0.153619D+02 -0.595885D+02
      3  -0.436091D+01 -0.367967D+01 -0.411648D+01  0.266018D+02 -0.651120D+02
      4   0.364722D+01  0.470735D+01  0.913115D+01 -0.308353D+01  0.382870D+02
      5  -0.927234D+01  0.105304D+02 -0.224053D+01  0.425673D+02  0.944339D+01
      6   0.962644D+00  0.175266D+01  0.396462D+01  0.121528D+02 -0.626025D+00
               281           282           283           284           285 
      1   0.842055D+01 -0.139551D+01 -0.697768D+01  0.694965D+01 -0.179691D+00
      2  -0.688632D+00 -0.216129D+00  0.607657D+01 -0.457534D+00  0.545117D+00
      3  -0.773192D+01  0.161164D+01  0.901109D+00 -0.649212D+01 -0.365426D+00
      4   0.171332D+02  0.919162D+00  0.117643D+02  0.522415D+01 -0.117808D+01
      5   0.149125D+01  0.129523D+02 -0.135151D+01 -0.806910D+00 -0.244451D+01
      6   0.169326D+01  0.348361D+01  0.484721D+00  0.370340D+00  0.106503D+00
               286           287           288           289           290 
      1  -0.162393D+02 -0.154021D+01  0.866617D+01  0.136508D+01  0.121465D+02
      2   0.664295D+01 -0.119929D+00 -0.640918D+01  0.230386D+01 -0.121721D+02
      3   0.959632D+01  0.166014D+01 -0.225699D+01 -0.366894D+01  0.255268D-01
      4  -0.675937D+01 -0.460306D+01  0.988101D+00  0.379057D+01 -0.530733D+01
      5   0.116572D+02 -0.788495D+00 -0.848535D+00 -0.176213D+01 -0.496489D+00
      6   0.292930D+01  0.481113D+00 -0.608569D+00 -0.139467D+00 -0.244302D+01
               291           292           293           294           295 
      1   0.272014D-01  0.110660D+02 -0.296474D+02 -0.266054D+01 -0.411330D+01
      2  -0.882628D-01 -0.337892D+01  0.512860D+02  0.276937D+01  0.116840D+01
      3   0.610614D-01 -0.768713D+01 -0.216386D+02 -0.108828D+00  0.294489D+01
      4  -0.198220D+01  0.120897D+02  0.580565D+02  0.586047D+01 -0.327237D+01
      5  -0.254013D+01  0.296914D+01  0.347908D+01  0.713970D+01 -0.274077D+00
      6  -0.220785D+01  0.784927D+00  0.112215D+02  0.760276D+01 -0.309650D+00
               296           297 
      1  -0.102928D+01 -0.548012D+01
      2  -0.150244D+01  0.396127D+01
      3   0.253172D+01  0.151885D+01
      4  -0.391763D+01  0.347381D+01
      5   0.434191D+01  0.203912D+01
      6   0.641284D+01  0.111752D+01
 Leave Link  716 at Wed Sep  8 14:25:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.206868D+03 -0.138739D+01 -0.817213D+00
      2  -0.138739D+01  0.135048D+03 -0.658905D+01
      3  -0.817213D+00 -0.658905D+01  0.153776D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.341409D+01 -0.778351D+01  0.218272D+02
      2   0.103680D+02 -0.886001D+01  0.442521D+02
      3  -0.117162D+03 -0.350907D+02  0.121927D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.159607D+03  0.534587D+02 -0.300526D+01
      2  -0.864906D+02 -0.302969D+02  0.161513D+02
      3  -0.731160D+02 -0.231618D+02 -0.131461D+02
      4  -0.251453D+02  0.679785D+02 -0.257496D+02
      5  -0.514709D+01 -0.282901D+02  0.948293D+02
      6  -0.112634D+02  0.131541D+02 -0.263960D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.892853D+01  0.634023D+00  0.109972D+01 -0.175837D+01  0.169123D+01
      2   0.634023D+00  0.162011D+01 -0.782626D+00  0.169123D+01 -0.338716D+01
      3   0.109972D+01 -0.782626D+00  0.281225D+01  0.172501D+01  0.228548D+01
                 6             7             8             9            10 
      1   0.172501D+01  0.125231D+02  0.135278D+01 -0.704588D+00  0.292613D+02
      2   0.228548D+01  0.135278D+01 -0.112932D+00  0.139920D+01  0.155159D+01
      3   0.890640D+00 -0.704588D+00  0.139920D+01  0.933781D+00 -0.122406D+01
                11            12            13            14            15 
      1   0.155159D+01 -0.122406D+01 -0.103137D+01  0.398074D+01  0.145338D+01
      2   0.172026D+01 -0.633849D+00  0.398074D+01 -0.147568D+01 -0.774318D-01
      3  -0.633849D+00  0.282116D+01  0.145338D+01 -0.774318D-01 -0.694212D+00
                16            17            18            19            20 
      1  -0.220179D+01  0.135299D+01  0.107564D+01  0.122770D+02 -0.656178D+00
      2   0.135299D+01  0.408281D+00 -0.109431D+01 -0.656178D+00 -0.218727D+01
      3   0.107564D+01 -0.109431D+01 -0.477451D+00 -0.128060D+01  0.149751D+01
                21            22            23            24            25 
      1  -0.128060D+01 -0.390753D+01 -0.150263D+01 -0.613472D-01  0.107083D+02
      2   0.149751D+01 -0.150263D+01 -0.257832D+01  0.250544D+01 -0.171777D+01
      3  -0.162029D+01 -0.613472D-01  0.250544D+01  0.190736D+01 -0.400495D-02
                26            27            28            29            30 
      1  -0.171777D+01 -0.400495D-02 -0.272161D+02  0.541944D+00  0.955208D+00
      2   0.110554D+01  0.127903D+01  0.541944D+00 -0.147330D+01  0.263263D+00
      3   0.127903D+01  0.183286D+01  0.955208D+00  0.263263D+00 -0.272576D+01
                31            32            33            34            35 
      1   0.280189D+01 -0.491498D+01 -0.169542D+01  0.323993D+01 -0.150734D+01
      2  -0.491498D+01  0.707882D+00  0.493055D+00 -0.150734D+01  0.162109D+00
      3  -0.169542D+01  0.493055D+00 -0.103516D-01 -0.435257D+00 -0.946977D+00
                36            37            38            39            40 
      1  -0.435257D+00  0.939855D+01 -0.895388D+00 -0.777261D+00  0.331692D+01
      2  -0.946977D+00 -0.895388D+00 -0.520059D+00 -0.402507D+00 -0.163872D+01
      3   0.290272D+00 -0.777261D+00 -0.402507D+00 -0.293187D+01 -0.108206D+01
                41            42            43            44            45 
      1  -0.163872D+01 -0.108206D+01 -0.130029D+02  0.428597D+00  0.420390D+00
      2   0.212787D+01 -0.231079D+01  0.428597D+00 -0.112234D+01 -0.792965D+00
      3  -0.231079D+01 -0.120881D+01  0.420390D+00 -0.792965D+00 -0.133913D+01
                46            47            48            49            50 
      1  -0.117765D+02  0.348938D+00  0.857304D+00  0.507282D+01  0.195779D+01
      2   0.348938D+00  0.654676D+00 -0.253246D-01  0.195779D+01  0.166309D+01
      3   0.857304D+00 -0.253246D-01  0.151416D+01 -0.365059D+00 -0.287460D+01
                51            52            53            54            55 
      1  -0.365059D+00 -0.982536D+01  0.314458D+00 -0.134413D+00 -0.133232D+02
      2  -0.287460D+01  0.314458D+00 -0.132023D+01 -0.831723D+00 -0.285005D+01
      3  -0.218318D+01 -0.134413D+00 -0.831723D+00 -0.176188D+01 -0.444051D+00
                56            57            58            59            60 
      1  -0.285005D+01 -0.444051D+00 -0.650125D+01 -0.689527D+01 -0.345408D+00
      2  -0.359420D+01  0.690964D-01 -0.689527D+01  0.990650D-01 -0.190091D+01
      3   0.690964D-01 -0.154211D+01 -0.345408D+00 -0.190091D+01  0.194112D+01
                61            62            63            64            65 
      1  -0.165672D+01 -0.593931D+00 -0.313439D+01 -0.408232D+01  0.419704D+01
      2  -0.593931D+00 -0.251255D+01  0.281847D+01  0.419704D+01  0.281780D+01
      3  -0.313439D+01  0.281847D+01  0.426666D+01  0.215038D+01 -0.255073D+00
                66            67            68            69            70 
      1   0.215038D+01  0.123776D+02  0.499009D+01 -0.241036D-01  0.497800D+01
      2  -0.255073D+00  0.499009D+01  0.177022D+01  0.297964D+01  0.739690D+00
      3   0.695170D+00 -0.241036D-01  0.297964D+01 -0.261220D+01  0.272626D+00
                71            72            73            74            75 
      1   0.739690D+00  0.272626D+00  0.319914D+01 -0.311379D+01 -0.222856D+01
      2   0.314783D+01 -0.235596D+01 -0.311379D+01 -0.320442D+01 -0.506523D-01
      3  -0.235596D+01 -0.381402D+01 -0.222856D+01 -0.506523D-01 -0.137368D+01
                76            77            78            79            80 
      1  -0.450452D+01 -0.414833D+01  0.763996D-02 -0.268270D+01  0.211184D+00
      2  -0.414833D+01 -0.118340D+01 -0.394858D+01  0.211184D+00 -0.299786D+01
      3   0.763996D-02 -0.394858D+01  0.276975D+01 -0.371289D+00  0.245609D+01
                81            82            83            84            85 
      1  -0.371289D+00  0.318443D+01 -0.373868D+01 -0.123528D+01 -0.583941D+01
      2   0.245609D+01 -0.373868D+01 -0.360705D+01  0.310089D+00 -0.397670D+01
      3   0.233543D+01 -0.123528D+01  0.310089D+00 -0.982191D+00 -0.107151D+00
                86            87            88            89            90 
      1  -0.397670D+01 -0.107151D+00 -0.185448D+01 -0.856458D+00 -0.732949D+00
      2  -0.270181D+01 -0.222649D+01 -0.856458D+00 -0.295843D+01  0.203822D+01
      3  -0.222649D+01  0.283257D+01 -0.732949D+00  0.203822D+01  0.557547D+01
                91            92            93            94            95 
      1   0.472722D+01  0.199386D+01  0.178043D+01 -0.277897D+01  0.534063D+01
      2   0.199386D+01  0.146565D+01  0.320110D+00  0.534063D+01 -0.331981D+01
      3   0.178043D+01  0.320110D+00  0.150491D+01  0.142385D+01  0.436126D+00
                96            97            98            99           100 
      1   0.142385D+01  0.277670D+01  0.194649D+01  0.234534D+01  0.103912D+01
      2   0.436126D+00  0.194649D+01  0.471448D+00  0.254265D+01 -0.129504D+01
      3   0.210192D+01  0.234534D+01  0.254265D+01 -0.320060D+01 -0.153193D+01
               101           102           103           104           105 
      1  -0.129504D+01 -0.153193D+01 -0.645381D+00 -0.439900D+00  0.119008D+01
      2   0.257143D+00  0.740328D+00 -0.439900D+00  0.204205D+01 -0.171954D+01
      3   0.740328D+00  0.539378D+00  0.119008D+01 -0.171954D+01 -0.324124D+01
               106           107           108           109           110 
      1  -0.364966D+01  0.173904D+01  0.124510D+01 -0.239964D+01  0.178985D+01
      2   0.173904D+01 -0.365797D+01 -0.331095D+01  0.178985D+01 -0.931638D+00
      3   0.124510D+01 -0.331095D+01 -0.215096D+01  0.311687D+01 -0.726480D+00
               111           112           113           114           115 
      1   0.311687D+01  0.311393D+01 -0.277760D+01 -0.165163D+01  0.615808D+01
      2  -0.726480D+00 -0.277760D+01  0.505325D+01  0.382870D+01 -0.286329D+01
      3  -0.134226D+01 -0.165163D+01  0.382870D+01  0.358815D+01 -0.312142D+01
               116           117           118           119           120 
      1  -0.286329D+01 -0.312142D+01  0.353097D+00 -0.520391D+00 -0.136787D+01
      2   0.500750D+01  0.410255D+01 -0.520391D+00  0.176001D+01 -0.121016D+00
      3   0.410255D+01  0.884435D+01 -0.136787D+01 -0.121016D+00 -0.169170D+00
               121           122           123           124           125 
      1  -0.143448D+01  0.296674D+01 -0.354170D+00 -0.374103D+01  0.942048D+00
      2   0.296674D+01 -0.655496D+01 -0.191133D+00  0.942048D+00 -0.159491D+01
      3  -0.354170D+00 -0.191133D+00 -0.663835D-01 -0.956791D+00  0.135535D+01
               126           127           128           129           130 
      1  -0.956791D+00  0.335370D+01 -0.990952D+00  0.240584D+01 -0.179016D+01
      2   0.135535D+01 -0.990952D+00  0.946319D+00 -0.995730D+00  0.629482D+00
      3  -0.399384D+01  0.240584D+01 -0.995730D+00  0.214680D+01 -0.127366D+01
               131           132           133           134           135 
      1   0.629482D+00 -0.127366D+01  0.248952D+01 -0.116093D+01  0.275477D+01
      2  -0.826020D+00  0.859971D+00 -0.116093D+01  0.168476D+01 -0.202810D+01
      3   0.859971D+00 -0.198373D+01  0.275477D+01 -0.202810D+01  0.485131D+01
               136           137           138           139           140 
      1  -0.203523D+01 -0.622556D+00  0.198355D+01 -0.359891D+00 -0.178681D+00
      2  -0.622556D+00 -0.383376D+00  0.614370D+00 -0.178681D+00 -0.547851D+00
      3   0.198355D+01  0.614370D+00 -0.218800D+01  0.615451D+00  0.718336D+00
               141           142           143           144           145 
      1   0.615451D+00  0.205076D+01  0.928320D+00 -0.254395D+01 -0.451133D+01
      2   0.718336D+00  0.928320D+00  0.159179D+01 -0.225489D+01  0.157178D+01
      3  -0.210225D+01 -0.254395D+01 -0.225489D+01  0.705492D+01 -0.192093D+01
               146           147           148           149           150 
      1   0.157178D+01 -0.192093D+01  0.240592D+01 -0.113716D+01  0.105988D+01
      2  -0.117553D+01  0.521387D+00 -0.113716D+01  0.988496D+00 -0.491858D+00
      3   0.521387D+00 -0.182353D+01  0.105988D+01 -0.491858D+00  0.184617D+01
               151           152           153           154           155 
      1  -0.218714D+01  0.571583D+00 -0.259080D+01  0.200456D+01  0.609813D+00
      2   0.571583D+00 -0.952686D+00  0.140770D+01  0.609813D+00  0.309675D+00
      3  -0.259080D+01  0.140770D+01 -0.468722D+01 -0.189583D+01 -0.297743D+00
               156           157           158           159           160 
      1  -0.189583D+01  0.236013D+00  0.174766D+00 -0.526491D+00 -0.227952D+01
      2  -0.297743D+00  0.174766D+00  0.322647D+00 -0.466920D+00 -0.802313D+00
      3   0.202506D+01 -0.526491D+00 -0.466920D+00  0.184062D+01  0.264466D+01
               161           162           163           164           165 
      1  -0.802313D+00  0.264466D+01  0.165481D+01 -0.435938D+00 -0.163722D+01
      2  -0.111986D+01  0.138083D+01 -0.435938D+00  0.934634D+00  0.443679D+00
      3   0.138083D+01 -0.700299D+01 -0.163722D+01  0.443679D+00  0.133561D+01
               166           167           168           169           170 
      1   0.887906D+00  0.149349D+01  0.482906D+00 -0.454265D+01  0.723069D+00
      2   0.149349D+01 -0.118026D+01 -0.124705D+01  0.723069D+00 -0.191889D+01
      3   0.482906D+00 -0.124705D+01 -0.137274D+01  0.287425D+01 -0.247657D+01
               171           172           173           174           175 
      1   0.287425D+01  0.322502D+01 -0.176347D+01  0.109698D+01 -0.251691D+01
      2  -0.247657D+01 -0.176347D+01  0.225395D+01 -0.391525D+00  0.306015D+01
      3  -0.630194D+01  0.109698D+01 -0.391525D+00  0.725012D+00 -0.583973D+00
               176           177           178           179           180 
      1   0.306015D+01 -0.583973D+00  0.435774D+01 -0.929368D+00  0.123988D+01
      2  -0.522770D+01  0.145973D+01 -0.929368D+00  0.273355D+01 -0.158551D+01
      3   0.145973D+01 -0.117877D+01  0.123988D+01 -0.158551D+01  0.104837D+01
               181           182           183           184           185 
      1   0.128507D+02 -0.143245D+01 -0.148128D+01 -0.305108D+01  0.110179D+01
      2  -0.143245D+01  0.120942D+01  0.189713D+00  0.110179D+01 -0.103984D+01
      3  -0.148128D+01  0.189713D+00  0.141738D+01  0.110810D+00 -0.645403D+00
               186           187           188           189           190 
      1   0.110810D+00 -0.209924D+01 -0.169778D-01  0.184889D+01 -0.714647D+01
      2  -0.645403D+00 -0.169778D-01 -0.724367D+00  0.103800D+00  0.115422D+00
      3  -0.561389D-01  0.184889D+01  0.103800D+00 -0.269391D+00  0.570732D+00
               191           192           193           194           195 
      1   0.115422D+00  0.570732D+00 -0.121651D+00 -0.914118D+00 -0.648893D+00
      2  -0.142308D+01 -0.831657D+00 -0.914118D+00  0.764935D+00  0.747619D+00
      3  -0.831657D+00 -0.198899D+01 -0.648893D+00  0.747619D+00  0.393911D+00
               196           197           198           199           200 
      1   0.405819D+00 -0.493199D+00 -0.905120D+00  0.398235D+01  0.297476D+01
      2  -0.493199D+00  0.546752D+00  0.827146D-01  0.297476D+01  0.288073D+01
      3  -0.905120D+00  0.827146D-01  0.957594D+00  0.203374D+01  0.121806D+01
               201           202           203           204           205 
      1   0.203374D+01  0.377561D+01  0.370556D+01  0.180325D+01  0.117352D+01
      2   0.121806D+01  0.370556D+01  0.512371D+01  0.251195D+01  0.850287D+00
      3   0.182024D+01  0.180325D+01  0.251195D+01  0.206664D+01  0.144062D+01
               206           207           208           209           210 
      1   0.850287D+00  0.144062D+01  0.115155D+01 -0.656931D+00  0.149296D+01
      2   0.131536D+01  0.114933D+01 -0.656931D+00  0.124581D+01 -0.629454D+00
      3   0.114933D+01  0.123489D+01  0.149296D+01 -0.629454D+00  0.153523D+01
               211           212           213           214           215 
      1  -0.150875D+01  0.123046D+01 -0.128503D+01  0.158750D+01 -0.638987D+00
      2   0.123046D+01 -0.320399D+01  0.245286D+01 -0.638987D+00  0.203534D+01
      3  -0.128503D+01  0.245286D+01 -0.359253D+01  0.152280D+01 -0.208097D+01
               216           217           218           219           220 
      1   0.152280D+01  0.388677D+00  0.395487D+00 -0.112418D+01 -0.161277D-01
      2  -0.208097D+01  0.395487D+00  0.604278D+00 -0.109612D+00  0.369822D+00
      3   0.393509D+01 -0.112418D+01 -0.109612D+00  0.107308D+01  0.813232D-01
               221           222           223           224           225 
      1   0.369822D+00  0.813232D-01 -0.153854D+01 -0.293095D+00  0.134585D+01
      2  -0.164709D+00 -0.662579D+00 -0.293095D+00 -0.131991D+01  0.275853D+00
      3  -0.662579D+00 -0.125258D+01  0.134585D+01  0.275853D+00 -0.861213D+01
               226           227           228           229           230 
      1   0.337647D+01  0.339390D+01 -0.343934D-01  0.347546D+01  0.420285D+01
      2   0.339390D+01  0.392185D+01 -0.246397D+00  0.420285D+01  0.724412D+01
      3  -0.343934D-01 -0.246397D+00  0.976123D+00 -0.184494D+00 -0.118668D+00
               231           232           233           234           235 
      1  -0.184494D+00  0.970964D+00  0.714716D+00  0.776706D+00 -0.563429D+01
      2  -0.118668D+00  0.714716D+00  0.149137D+01  0.632725D+00  0.120240D+01
      3   0.765345D+00  0.776706D+00  0.632725D+00 -0.118111D+00  0.403856D+00
               236           237           238           239           240 
      1   0.120240D+01  0.403856D+00  0.250304D+01 -0.875822D-01 -0.914545D-01
      2  -0.187007D+01  0.279122D+00 -0.875822D-01  0.202553D+01 -0.557233D-03
      3   0.279122D+00 -0.105870D+01 -0.914545D-01 -0.557233D-03  0.198208D+00
               241           242           243           244           245 
      1   0.636364D+00 -0.135025D+00 -0.461025D+00  0.139476D-01 -0.860867D+00
      2  -0.135025D+00  0.605427D+00  0.933305D-01 -0.860867D+00 -0.620324D+00
      3  -0.461025D+00  0.933305D-01 -0.324341D+00  0.118832D+01  0.202729D+00
               246           247           248           249           250 
      1   0.118832D+01 -0.124006D+01 -0.110024D+01  0.347483D+00  0.257604D+01
      2   0.202729D+00 -0.110024D+01 -0.855416D+00  0.113977D+01  0.385182D+00
      3  -0.108374D+01  0.347483D+00  0.113977D+01 -0.144690D+01 -0.178821D+01
               251           252           253           254           255 
      1   0.385182D+00 -0.178821D+01  0.718336D+01 -0.121051D+01 -0.204953D+01
      2   0.152740D+01 -0.131452D+01 -0.121051D+01 -0.295608D+01 -0.970131D+00
      3  -0.131452D+01  0.513171D+01 -0.204953D+01 -0.970131D+00 -0.146418D+01
               256           257           258           259           260 
      1  -0.396141D+01 -0.254350D+01 -0.122486D+01 -0.627006D+01 -0.146854D+01
      2  -0.254350D+01  0.499461D+01 -0.376595D+00 -0.146854D+01 -0.170041D+01
      3  -0.122486D+01 -0.376595D+00 -0.225037D+01 -0.196065D+01 -0.235040D+01
               261           262           263           264           265 
      1  -0.196065D+01 -0.108670D+01  0.139012D+01 -0.576019D+00  0.231395D+01
      2  -0.235040D+01  0.139012D+01 -0.156144D+01  0.419801D+00 -0.326984D+01
      3   0.275036D+01 -0.576019D+00  0.419801D+00 -0.427349D+00  0.827305D+00
               266           267           268           269           270 
      1  -0.326984D+01  0.827305D+00 -0.756568D-01 -0.215336D+00 -0.308172D+00
      2   0.864386D+01 -0.179244D+01 -0.215336D+00  0.417257D+00  0.593204D+00
      3  -0.179244D+01  0.158600D+01 -0.308172D+00  0.593204D+00 -0.716698D+00
               271           272           273           274           275 
      1  -0.351866D-01  0.468217D+00 -0.414993D+00  0.145229D+01  0.296706D+00
      2   0.468217D+00  0.511720D+00  0.212602D+00  0.296706D+00  0.179515D+00
      3  -0.414993D+00  0.212602D+00  0.420850D+00  0.389043D+00 -0.596885D+00
               276           277           278           279           280 
      1   0.389043D+00 -0.196784D+01 -0.206336D+00 -0.755381D+00 -0.143964D+02
      2  -0.596885D+00 -0.206336D+00 -0.125943D+01  0.300068D+00 -0.140590D+01
      3   0.123431D+01 -0.755381D+00  0.300068D+00 -0.601463D+01 -0.144996D+00
               281           282           283           284           285 
      1  -0.140590D+01 -0.144996D+00  0.922446D+00 -0.108327D+01  0.135622D+00
      2  -0.130858D+01 -0.151015D+00 -0.108327D+01 -0.481395D+00  0.114114D+00
      3  -0.151015D+00 -0.106109D+01  0.135622D+00  0.114114D+00  0.360637D+00
               286           287           288           289           290 
      1   0.203297D+01  0.407624D+00 -0.101891D+01 -0.531922D-01 -0.730050D+00
      2   0.407624D+00  0.523827D+00  0.129760D+00 -0.730050D+00  0.170237D+01
      3  -0.101891D+01  0.129760D+00  0.951030D-01  0.233103D+00  0.318931D+00
               291           292           293           294           295 
      1   0.233103D+00 -0.168847D+01 -0.583790D+00 -0.147839D+00  0.909987D+00
      2   0.318931D+00 -0.583790D+00 -0.902253D+01 -0.884355D+00  0.290845D+00
      3   0.420522D+00 -0.147839D+00 -0.884355D+00 -0.107098D+01  0.119785D+00
               296           297 
      1   0.290845D+00  0.119785D+00
      2   0.497237D+00 -0.717017D+00
      3  -0.717017D+00 -0.352808D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.186754D+01  0.691883D+00  0.345920D+01  0.928775D+01  0.179561D+01
      2  -0.648632D+00 -0.189284D+01  0.362461D+01 -0.397338D+01 -0.173472D+01
      3   0.154102D+02 -0.136480D+01 -0.136433D+01  0.126333D+02  0.129633D+01
                 6             7             8             9            10 
      1  -0.216767D+01  0.273568D+01  0.328370D+01  0.204633D-01 -0.235080D+01
      2   0.105650D+01 -0.368289D+01  0.879936D+00 -0.723772D+00 -0.540435D+00
      3  -0.530020D+01 -0.135638D+02 -0.192499D+01 -0.142509D+01 -0.376046D+02
                11            12            13            14            15 
      1  -0.332981D+00  0.141959D+01  0.296519D+01  0.442159D+01 -0.927840D+01
      2   0.567077D+00 -0.275435D+01  0.423553D+01 -0.421779D+00 -0.135864D-01
      3  -0.178758D+01  0.106789D+01  0.979229D+01 -0.200800D+01 -0.865580D+00
                16            17            18            19            20 
      1  -0.372301D+01 -0.192857D+01 -0.344757D+01 -0.190066D+01 -0.180110D+00
      2  -0.229665D+02 -0.169706D+01 -0.372423D+01 -0.105303D+01 -0.244034D+01
      3  -0.126443D+01 -0.106076D+01 -0.821705D+00 -0.155580D+02 -0.442569D+00
                21            22            23            24            25 
      1  -0.187315D+01 -0.492749D+01  0.211380D+01  0.845848D+00 -0.121949D+01
      2   0.791228D+01 -0.321983D+01  0.166337D+01 -0.226574D+01 -0.625359D+01
      3   0.286987D+01  0.161447D+02 -0.706040D+00  0.252278D+01 -0.108038D+02
                26            27            28            29            30 
      1   0.314335D+01  0.240869D+01  0.731631D-01  0.168923D+01 -0.266743D+01
      2  -0.907094D+00  0.160993D+01  0.336143D+01  0.770905D+00 -0.324762D+01
      3   0.341181D+01  0.212725D+01  0.322735D+02 -0.459764D+00 -0.239993D+01
                31            32            33            34            35 
      1  -0.846708D+00  0.381915D+01 -0.939933D+01 -0.518992D+01 -0.112833D+01
      2   0.437332D+01  0.631354D-01  0.265643D+01 -0.249547D+02  0.456199D+01
      3   0.641414D+01  0.509840D+01  0.135375D+01 -0.776884D+01 -0.102905D+01
                36            37            38            39            40 
      1  -0.280690D+01  0.621829D+00  0.543904D+00 -0.182527D+01  0.552942D+01
      2   0.149870D+01 -0.438563D+01 -0.187212D+01  0.374842D+01 -0.495662D+01
      3   0.181113D+01 -0.131078D+02 -0.466463D+00  0.314234D+01  0.775154D+01
                41            42            43            44            45 
      1  -0.190622D+01 -0.325401D+01  0.349186D+01  0.183768D+01 -0.186217D+01
      2  -0.197092D+01  0.989442D+00 -0.124344D+01  0.560049D+00 -0.259308D+01
      3   0.141829D+01 -0.291014D+01  0.196714D+02 -0.161471D+01 -0.436703D+01
                46            47            48            49            50 
      1   0.173810D+01 -0.167252D+01  0.139029D+01 -0.750302D+01 -0.218934D+01
      2   0.344367D+01 -0.278012D+01  0.947093D+01 -0.270838D+01  0.224759D+01
      3   0.198978D+02 -0.194164D+01  0.269377D+01  0.703700D+01 -0.177196D+01
                51            52            53            54            55 
      1  -0.208279D+01 -0.924277D+00  0.190692D+01 -0.508721D+00  0.134737D+01
      2  -0.350465D+01 -0.388408D+01 -0.129776D+01  0.309858D+01 -0.632662D+01
      3   0.291120D+01  0.151578D+02  0.386405D+00  0.244879D+01  0.236187D+02
                56            57            58            59            60 
      1   0.141413D+01 -0.273833D+00  0.343341D+01 -0.276835D+01  0.252276D+01
      2  -0.410124D+00 -0.298316D+01 -0.355228D+01 -0.112517D+02  0.857277D+01
      3   0.120185D+02 -0.157249D+00  0.392531D+02  0.993303D+01  0.780485D+01
                61            62            63            64            65 
      1  -0.544386D+00  0.750445D+01  0.380709D+01 -0.153495D+01  0.284269D-01
      2  -0.195996D+02  0.939750D+01  0.143677D+02  0.106119D+02 -0.288903D+00
      3   0.382786D+01  0.102897D+02 -0.536751D+01 -0.270511D+02 -0.157044D+02
                66            67            68            69            70 
      1  -0.804137D+00 -0.269872D+01 -0.204332D+01 -0.267209D+01  0.272792D+01
      2   0.658647D+01  0.397706D+01  0.141716D+02 -0.118799D+02 -0.933302D+00
      3   0.163295D+01 -0.260790D+02 -0.905812D+01 -0.122803D+02 -0.559967D+01
                71            72            73            74            75 
      1   0.539177D+01  0.179205D+01 -0.171231D+01 -0.590612D+01  0.866403D+00
      2  -0.101490D+02 -0.158461D+02 -0.171573D+02  0.499812D+01  0.252543D+01
      3  -0.136734D+02  0.813623D+01  0.167893D+02  0.875082D+01 -0.247291D+01
                76            77            78            79            80 
      1  -0.832128D+01  0.126773D+01 -0.133089D+02  0.744911D+00 -0.649872D+01
      2   0.615797D+01 -0.950209D+01  0.116798D+02  0.236468D+01  0.100766D+02
      3   0.163843D+02  0.216695D+01  0.151262D+02 -0.283637D+01  0.117717D+02
                81            82            83            84            85 
      1   0.319704D+01  0.562577D+01  0.392111D+01  0.161660D+01  0.587556D+01
      2   0.114544D+02  0.554836D+00 -0.369635D+01 -0.260919D+01 -0.708916D+01
      3  -0.100247D+02  0.237921D+02  0.412791D+01 -0.210338D+01  0.798165D+01
                86            87            88            89            90 
      1   0.874284D+01 -0.507952D+01  0.313594D+01  0.228942D+01 -0.149075D+02
      2  -0.133531D+02  0.111643D+02 -0.600185D+01  0.766562D+01  0.188784D+02
      3   0.223861D+01  0.933954D+01  0.884037D+00  0.106068D+02 -0.818280D+01
                91            92            93            94            95 
      1   0.164049D+01 -0.115332D+01  0.145278D+01  0.563165D+00 -0.153086D+01
      2  -0.986043D+01  0.140620D+00 -0.126068D+01 -0.520529D+00 -0.406163D+01
      3  -0.321827D+01 -0.750029D+00 -0.673374D+00  0.317321D+02 -0.153804D+02
                96            97            98            99           100 
      1  -0.229995D+01  0.110082D+01  0.508526D+01 -0.107219D-01  0.157254D+01
      2  -0.922625D+01 -0.158410D+02 -0.889630D+01  0.109344D+02  0.501352D+01
      3  -0.133049D+01  0.205155D+01 -0.918452D+00  0.620239D+01  0.121037D+02
               101           102           103           104           105 
      1   0.151973D+01 -0.346941D+01  0.109135D+01 -0.194392D+01  0.183075D+01
      2  -0.336304D+01  0.749627D+01 -0.136219D+01  0.527181D+01  0.173358D+02
      3  -0.140957D+02  0.145629D+01 -0.657401D+01 -0.689262D+00 -0.415538D+01
               106           107           108           109           110 
      1  -0.346742D+01 -0.157534D+01  0.462905D+01 -0.342856D+01 -0.206883D+01
      2  -0.105843D+01  0.127103D+02  0.864889D+01 -0.793672D+01  0.208083D+01
      3   0.981539D+01 -0.121137D+02 -0.971057D+01 -0.184548D+00 -0.743492D+00
               111           112           113           114           115 
      1   0.201330D+01 -0.200406D+01  0.433697D+01 -0.653704D+01  0.542757D+00
      2   0.418034D+01 -0.187008D+01 -0.103283D+02 -0.141339D+02  0.101777D+01
      3  -0.651515D-01 -0.368377D+01  0.195183D+02  0.119544D+02 -0.108391D+02
               116           117           118           119           120 
      1   0.688115D+01 -0.103952D+02  0.372015D+01 -0.733680D+00  0.427969D+00
      2  -0.120456D+02 -0.302093D+02  0.524009D+01 -0.448121D+00  0.177615D+01
      3   0.177618D+02  0.121685D+02 -0.347158D+01  0.410878D+01 -0.261943D+01
               121           122           123           124           125 
      1  -0.155614D+01  0.452107D+01 -0.151813D+01 -0.118276D+01  0.637834D+01
      2   0.514451D+00  0.318883D+01 -0.919062D+00 -0.141561D+01 -0.372824D+01
      3   0.844426D+01 -0.181323D+02 -0.140057D+01  0.215294D+01 -0.592562D+01
               126           127           128           129           130 
      1   0.756295D+01  0.294400D+01  0.130487D+01  0.273864D+01 -0.187983D+01
      2   0.147232D+02 -0.451474D+01 -0.374326D-01 -0.216683D+00  0.133585D+01
      3   0.490664D+01 -0.527959D+01 -0.100220D+01 -0.250245D+01  0.360950D+01
               131           132           133           134           135 
      1   0.213063D+00 -0.358593D+01  0.290697D+01  0.127702D+01  0.500766D+01
      2   0.250043D+00 -0.108209D+01 -0.254755D+01 -0.532946D+00  0.222189D+01
      3   0.640138D+00  0.917074D+00 -0.318205D+01 -0.150657D+01 -0.174744D+01
               136           137           138           139           140 
      1   0.201990D+01 -0.962469D+00 -0.250563D+01  0.981613D+00  0.102722D-01
      2   0.419548D+01  0.419999D+00 -0.108432D+01  0.569276D+00 -0.765509D-01
      3   0.292626D+01  0.143909D-02 -0.211862D+01  0.152569D+01 -0.277192D+00
               141           142           143           144           145 
      1  -0.350211D+01 -0.190772D+01  0.205722D+01  0.608072D+01 -0.392142D+01
      2   0.563464D+00 -0.448440D+01 -0.477305D+00 -0.500898D+00 -0.972122D+01
      3  -0.672082D+00 -0.266050D+01  0.775430D+00  0.218326D+01  0.140742D+01
               146           147           148           149           150 
      1   0.420884D+01 -0.779190D+00  0.267938D+01 -0.238119D+01 -0.571307D+00
      2   0.291733D+01 -0.132833D+01  0.405148D+01 -0.193099D+01  0.209400D+00
      3  -0.207279D+01  0.685084D+00 -0.219697D+00  0.163165D+01 -0.918410D-01
               151           152           153           154           155 
      1  -0.127326D+01  0.361958D+01 -0.311055D+01 -0.235884D+01 -0.208868D+01
      2  -0.399839D+01 -0.131319D+00  0.373493D+00  0.451720D+01  0.116338D+01
      3   0.349038D+00 -0.209235D+01  0.169944D+01 -0.692466D+00 -0.956013D+00
               156           157           158           159           160 
      1   0.121397D+01 -0.450503D+00 -0.118467D+01 -0.211462D+00  0.324266D+01
      2  -0.107952D+01  0.392830D+00 -0.351420D-02  0.465905D+00 -0.489805D+01
      3   0.942408D+00  0.869800D+00 -0.342220D+00  0.213891D+00  0.133167D+01
               161           162           163           164           165 
      1   0.531665D+01 -0.542722D+01 -0.128644D+01 -0.505324D+00  0.137366D+01
      2  -0.560431D+00 -0.206484D+01 -0.573187D+01  0.761818D+00  0.520466D+01
      3   0.220755D+01 -0.186866D+01 -0.113215D+01 -0.386690D+01  0.743336D+00
               166           167           168           169           170 
      1  -0.183589D+00 -0.209411D+00 -0.207309D+01  0.258276D+01  0.954155D+00
      2   0.162818D+01 -0.329955D+01 -0.481570D+01  0.492055D+01 -0.864191D+01
      3  -0.471782D+01  0.220520D+01  0.302506D+01  0.345647D+01  0.584391D+01
               171           172           173           174           175 
      1  -0.672707D+01  0.175687D+01 -0.122124D+01  0.172873D+01 -0.221128D+01
      2  -0.211659D+02  0.640297D+01 -0.236211D+01  0.475666D+01 -0.286781D+01
      3   0.417325D+01  0.210455D+01 -0.676879D+01  0.106270D+00 -0.503718D+01
               176           177           178           179           180 
      1   0.364717D+01 -0.449768D+01  0.175722D+01 -0.199486D+01  0.297277D+01
      2   0.726694D+01 -0.554973D+01  0.421640D+01 -0.649359D+01  0.450429D+01
      3   0.143543D+02 -0.401828D+01 -0.284724D+01 -0.879638D+01  0.372216D+01
               181           182           183           184           185 
      1   0.296709D+00 -0.502704D+00 -0.249778D+00  0.692820D-01  0.439941D+00
      2  -0.337226D+01  0.512635D+00  0.901743D+01 -0.398358D+00 -0.293391D+01
      3   0.573525D+01 -0.849040D+01 -0.795163D+00 -0.198726D+01  0.484962D+01
               186           187           188           189           190 
      1  -0.964685D+00 -0.482474D+00  0.955060D+00 -0.127286D+00 -0.212188D+01
      2   0.412885D-01  0.585631D+01  0.572859D+00 -0.630109D+00  0.199375D+02
      3   0.311033D+01  0.547415D+00  0.381352D+01 -0.743420D+00 -0.893334D+01
               191           192           193           194           195 
      1  -0.285096D+01  0.128743D+01 -0.187454D+01  0.830016D-01 -0.137706D+00
      2  -0.312665D+01 -0.767562D+01 -0.209297D+01  0.503105D+01  0.211546D+01
      3   0.390647D+01  0.394555D+01  0.517442D+01 -0.284653D+01 -0.314667D+01
               196           197           198           199           200 
      1   0.691716D+00  0.184200D+01 -0.375287D+00  0.331040D+01  0.495516D+01
      2  -0.752160D+01  0.106946D+01  0.475172D+01  0.201277D+01  0.236206D+00
      3   0.264272D+01 -0.182720D+01 -0.134355D+01 -0.858124D+01 -0.110866D+02
               201           202           203           204           205 
      1  -0.609242D+00  0.531393D+01  0.742673D+01  0.414902D-01  0.883661D+00
      2   0.605316D+01 -0.118122D+00  0.460997D+01  0.694435D+01  0.235675D+01
      3  -0.339169D+01 -0.981341D+01 -0.190186D+02 -0.886540D+01 -0.165464D+01
               206           207           208           209           210 
      1   0.272203D+01  0.653146D+00 -0.241695D+01  0.308390D+01 -0.194658D+01
      2   0.283515D+01  0.305025D+01  0.517347D+01 -0.124687D+01  0.483948D+01
      3  -0.503115D+01 -0.363598D+01  0.249228D+01 -0.581365D+01  0.309316D+01
               211           212           213           214           215 
      1   0.259784D+01 -0.940261D+01  0.520970D+01 -0.210543D+01  0.767297D+01
      2  -0.101824D+01  0.837723D+01 -0.135055D+02  0.118694D+01 -0.770445D+01
      3  -0.307979D+01  0.138736D+02 -0.950841D+01  0.244751D+01 -0.849282D+01
               216           217           218           219           220 
      1  -0.594155D+01  0.137331D+01 -0.689312D+00 -0.148692D+01 -0.361464D+00
      2   0.135755D+02 -0.427344D+01 -0.211473D+00  0.311814D+01 -0.447661D+00
      3   0.851052D+01 -0.213350D+01 -0.251351D+01 -0.965330D+00 -0.408964D+00
               221           222           223           224           225 
      1   0.194003D+01  0.222824D+01 -0.151184D+01  0.484445D+01  0.154429D+02
      2  -0.194996D+01 -0.496759D+01 -0.466552D+00  0.324744D+00 -0.302134D+02
      3   0.164273D+01  0.197667D+01 -0.127709D+01  0.474121D+01 -0.896659D+00
               226           227           228           229           230 
      1  -0.390895D+01 -0.425988D+01 -0.307827D+01 -0.525827D+01 -0.830281D+01
      2   0.328778D+01  0.231577D+01  0.536422D+01  0.342220D+01  0.378841D+01
      3  -0.677143D+01 -0.108721D+02  0.126891D+01 -0.645551D+01 -0.213345D+02
               231           232           233           234           235 
      1  -0.387831D+01 -0.213997D+01 -0.161682D+01 -0.933115D+00 -0.131758D+01
      2   0.374602D+01  0.329096D+01  0.269030D+01  0.419945D+00 -0.735901D+01
      3   0.312119D+00 -0.723003D+00 -0.505387D+01 -0.118786D+01 -0.212330D+02
               236           237           238           239           240 
      1   0.153015D+01  0.272120D+01 -0.397107D-01 -0.219229D+01 -0.860147D+00
      2   0.247796D+01 -0.149630D+01  0.305754D+01 -0.238297D+00 -0.467595D+00
      3   0.677445D+01 -0.125082D+00  0.609187D+01 -0.701645D+01 -0.420513D+00
               241           242           243           244           245 
      1   0.178046D+01  0.676604D+00  0.584104D-01  0.528650D-01 -0.386826D+00
      2  -0.312198D+01 -0.365124D+00 -0.164184D+01 -0.487222D+01 -0.329197D+00
      3   0.140815D+01 -0.245125D+01 -0.137697D+01 -0.298464D+01 -0.196951D+01
               246           247           248           249           250 
      1  -0.613769D+00 -0.132209D+00  0.197005D+00 -0.151284D+01 -0.637910D+00
      2   0.357658D+01  0.182336D+00 -0.292386D+01  0.491124D+01  0.864147D+00
      3  -0.476594D-01 -0.761370D+00 -0.193364D+01  0.298699D+01 -0.104093D+01
               251           252           253           254           255 
      1   0.222154D+01  0.251274D+01 -0.173977D+01  0.727296D+00 -0.218647D+01
      2   0.414766D+01 -0.158001D+02  0.172081D+02  0.408920D+01  0.783335D+01
      3   0.440659D+01 -0.295993D+01 -0.154680D+02 -0.111393D+02 -0.448036D+00
               256           257           258           259           260 
      1  -0.119256D+01 -0.588491D+01 -0.541834D+01 -0.107708D+01 -0.895551D+00
      2   0.366074D+01 -0.442002D-01  0.790407D+01  0.513536D+01  0.890523D+01
      3  -0.270950D+01  0.231013D+02  0.102505D+01  0.160251D+01 -0.224967D+01
               261           262           263           264           265 
      1   0.744674D+01  0.331726D-02  0.483490D+00  0.698983D+00  0.936870D+00
      2  -0.149719D+02  0.124370D+01 -0.772556D+00  0.142097D+01 -0.128022D+01
      3  -0.642808D+01  0.294078D+01 -0.358311D+01  0.138100D+01 -0.623032D+01
               266           267           268           269           270 
      1  -0.382247D+01 -0.304402D+01 -0.361797D+00  0.349602D+00 -0.359504D+00
      2   0.455575D+01 -0.535693D+01  0.295688D+00 -0.144646D+01  0.188982D+01
      3   0.268104D+02 -0.544042D+01 -0.542484D+00  0.152825D+01  0.177487D+01
               271           272           273           274           275 
      1  -0.177767D+01 -0.745975D+00  0.432675D+00 -0.837056D-01 -0.216601D+01
      2   0.479035D+01  0.246111D+00 -0.216062D+01  0.137487D+01  0.308394D+01
      3   0.211662D+01  0.911814D+00  0.909825D+00  0.644500D+00  0.589946D+00
               276           277           278           279           280 
      1   0.192577D+01 -0.201998D+00  0.446860D+01 -0.990161D+01  0.752360D+00
      2  -0.516210D+01 -0.256068D+01 -0.224819D+01  0.237820D+02 -0.881113D+01
      3  -0.260717D+01  0.127678D+01 -0.451081D+01  0.270260D+01  0.146398D+02
               281           282           283           284           285 
      1   0.755470D+00 -0.182092D+01  0.878628D+00  0.464745D+00  0.413211D-01
      2  -0.854595D-01  0.767809D+01 -0.590040D+00 -0.107784D+01 -0.135932D+01
      3  -0.642339D+01 -0.727445D+00 -0.414885D+01 -0.322171D+00  0.369356D+00
               286           287           288           289           290 
      1  -0.171036D+01  0.863830D+00 -0.510888D-01  0.106009D+01 -0.596666D+00
      2   0.407134D+01 -0.771417D+00 -0.651893D+00 -0.841458D+00 -0.162708D+01
      3  -0.125097D+01  0.163614D+01  0.201934D+01 -0.415147D+01  0.618574D+01
               291           292           293           294           295 
      1   0.134858D+01 -0.266873D+00  0.578049D+01 -0.368188D+01  0.644258D+00
      2  -0.139579D+01 -0.867731D+00  0.353317D+01  0.385337D+01 -0.158225D+01
      3   0.333439D+00  0.386186D+01 -0.312245D+02 -0.234690D+01 -0.768249D+00
               296           297 
      1  -0.376326D+00  0.583384D-02
      2   0.238989D+01  0.136532D+01
      3   0.109188D+01 -0.249840D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713817D+01  0.103682D+02 -0.226611D+02 -0.103676D+01 -0.131906D+02
      2   0.232008D+01 -0.730107D+01  0.738944D+01 -0.778468D+01  0.217133D+02
      3   0.481808D+01 -0.306714D+01  0.152716D+02  0.882144D+01 -0.852269D+01
      4   0.112962D+02 -0.253875D+00  0.592312D+01  0.886001D+01 -0.713720D+01
      5  -0.127007D+02  0.525545D+01 -0.524656D+00  0.908079D+01  0.390289D+01
      6   0.411817D+01  0.436324D+01 -0.504758D+01  0.226265D-01 -0.639986D+01
                 6             7             8             9            10 
      1   0.608512D+01  0.343103D+02 -0.311177D+01  0.109767D+02  0.491704D+02
      2  -0.124610D+02 -0.941432D+01 -0.923762D+00 -0.567471D+01 -0.233802D+02
      3   0.637589D+01 -0.248960D+02  0.403553D+01 -0.530200D+01 -0.257902D+02
      4   0.279267D+01 -0.425245D+01  0.468366D+00  0.662887D+01 -0.911019D+01
      5   0.701125D+01  0.668513D+01  0.687565D+01 -0.566679D+01 -0.643329D+01
      6   0.453070D+01  0.103504D+02 -0.323019D+01  0.692675D+01  0.268472D+01
                11            12            13            14            15 
      1   0.803898D+01 -0.167740D+01  0.128503D+02 -0.311753D+01  0.601693D+01
      2  -0.732844D+01  0.349136D+01 -0.141209D+02  0.806355D+01 -0.440342D+00
      3  -0.710543D+00 -0.181396D+01  0.127064D+01 -0.494603D+01 -0.557659D+01
      4   0.122750D+01 -0.288900D+01  0.144280D+02 -0.823840D+01 -0.102693D+01
      5  -0.344623D+01  0.924665D+01  0.137682D+02  0.450837D+00 -0.345577D+01
      6   0.132948D+01 -0.666633D+01 -0.401173D+01  0.455046D+01  0.823045D+01
                16            17            18            19            20 
      1  -0.697646D+01  0.683608D+01 -0.195273D+02  0.715837D+01 -0.124098D+02
      2  -0.258214D+01  0.352623D+01  0.294840D+01  0.735921D+00  0.107711D+02
      3   0.955860D+01 -0.103623D+02  0.165789D+02 -0.789429D+01  0.163865D+01
      4   0.156969D+02 -0.956448D-01 -0.259857D+01 -0.957996D+01 -0.241000D+00
      5  -0.157665D+02 -0.355371D+01 -0.194543D+01  0.139089D+02  0.195858D+01
      6  -0.486513D+01  0.250075D+01 -0.396644D+01 -0.149618D+01 -0.553381D+01
                21            22            23            24            25 
      1   0.213584D+02  0.388824D+01 -0.115358D+02 -0.539602D+01 -0.167056D+02
      2  -0.118432D+02  0.434538D+01  0.167524D+02 -0.101705D+02  0.131086D+01
      3  -0.951526D+01 -0.823363D+01 -0.521665D+01  0.155665D+02  0.153948D+02
      4   0.262758D+01  0.135171D+02  0.673653D+01 -0.272793D+01 -0.340591D+01
      5  -0.111298D+02 -0.133686D+01 -0.191408D+01 -0.119057D+01  0.955418D+01
      6   0.637290D+01 -0.935343D+00 -0.711800D+01  0.602057D+01 -0.992696D+01
                26            27            28            29            30 
      1  -0.412634D+01  0.852597D+01  0.170832D+02 -0.323312D+01  0.229961D+01
      2  -0.259144D+01 -0.856291D+00 -0.413016D+01  0.610238D+01  0.129252D+00
      3   0.671778D+01 -0.766968D+01 -0.129530D+02 -0.286927D+01 -0.242886D+01
      4  -0.136598D+01 -0.591153D+01  0.183853D+02  0.156503D+01 -0.196082D+01
      5  -0.598829D+01  0.724196D+01  0.342266D+01 -0.151005D+01  0.743006D+01
      6   0.100964D+01  0.751835D+01  0.358087D+01 -0.884916D+00  0.514268D+01
                31            32            33            34            35 
      1  -0.449266D+01 -0.101281D+01  0.768712D+01 -0.789700D+01  0.945777D+01
      2   0.906253D+01  0.492197D+01 -0.223971D+01  0.182274D+01  0.151614D+01
      3  -0.456987D+01 -0.390916D+01 -0.544741D+01  0.607427D+01 -0.109739D+02
      4   0.140761D+02  0.103549D+01  0.149560D+01  0.112865D+02  0.502907D+01
      5   0.128824D+02  0.216263D+00  0.941594D+00 -0.185167D+02  0.361429D+01
      6  -0.121082D+01  0.357206D+01  0.575255D+01 -0.955820D+00  0.168936D+01
                36            37            38            39            40 
      1  -0.185844D+02 -0.339267D+01  0.556073D+01 -0.235860D+02 -0.844859D+01
      2   0.356516D+01 -0.176630D+01 -0.198092D+01  0.636550D+01 -0.178677D+01
      3   0.150192D+02  0.515897D+01 -0.357981D+01  0.172205D+02  0.102354D+02
      4   0.215036D+01  0.579201D+01 -0.164828D+01  0.284403D+01  0.385027D+01
      5   0.149227D+01 -0.167201D+02  0.250419D+01 -0.195588D+01  0.122688D+01
      6  -0.626895D+01  0.264067D+01  0.456511D+01  0.522437D+01  0.313490D+01
                41            42            43            44            45 
      1  -0.563638D+01 -0.614631D+01  0.208948D+02 -0.905231D+01  0.719850D+01
      2   0.581118D+01  0.386811D+00  0.296183D+00  0.194551D+01 -0.160232D+01
      3  -0.174793D+00  0.575950D+01 -0.211909D+02  0.710680D+01 -0.559619D+01
      4   0.182954D+00  0.384089D+01  0.198396D+01  0.370492D+01  0.610337D+01
      5   0.200821D+01  0.819477D+01  0.112654D+02  0.519954D+01 -0.613103D+01
      6   0.301347D+01  0.828669D+01  0.106589D+02  0.175515D+01  0.104286D+02
                46            47            48            49            50 
      1  -0.358109D-01 -0.896874D+01  0.202765D+02  0.112665D+02 -0.277096D+01
      2   0.653853D+01  0.368602D+01 -0.727425D+01 -0.291797D+01  0.262052D+01
      3  -0.650271D+01  0.528272D+01 -0.130023D+02 -0.834853D+01  0.150446D+00
      4  -0.393256D+01  0.254363D+01 -0.160059D+01  0.777090D+01  0.397513D+01
      5   0.197474D+02  0.139454D+00 -0.815341D+01 -0.833410D+01 -0.405951D+01
      6   0.613986D+00 -0.330455D+01  0.964968D+00 -0.214995D+01  0.446120D+01
                51            52            53            54            55 
      1  -0.174595D+02 -0.209926D+02 -0.940848D+01  0.520966D+01 -0.268917D+02
      2   0.264628D+01  0.306720D+01  0.279120D+01  0.423391D+01  0.124898D+02
      3   0.148132D+02  0.179254D+02  0.661728D+01 -0.944357D+01  0.144018D+02
      4  -0.456457D+01  0.317450D+01 -0.226846D+01 -0.479524D+01 -0.789573D+01
      5  -0.339958D+01  0.970460D+01 -0.384734D+01  0.575351D+01 -0.534821D+01
      6   0.131697D+02 -0.611697D+01  0.532222D+01  0.131227D+02  0.131684D+01
                56            57            58            59            60 
      1  -0.107584D+02 -0.509524D+01 -0.326376D+02 -0.244815D+02  0.125892D+01
      2   0.769640D+01  0.106119D+00  0.231822D+02  0.655168D+01  0.574403D+01
      3   0.306196D+01  0.498912D+01  0.945537D+01  0.179298D+02 -0.700294D+01
      4  -0.258744D+02  0.115138D+01 -0.459088D+02  0.106782D+02 -0.146097D+02
      5   0.684448D+00 -0.123440D+02 -0.970165D+00 -0.143966D+02  0.155383D+02
      6   0.370512D-01  0.206971D+01  0.577326D-01  0.418300D+01 -0.539289D+01
                61            62            63            64            65 
      1  -0.143292D+02  0.330964D+00 -0.344962D+01 -0.839661D+02  0.282074D+02
      2  -0.120144D+01  0.749951D+01  0.637534D+01  0.454358D+02 -0.130718D+02
      3   0.155306D+02 -0.783047D+01 -0.292572D+01  0.385304D+02 -0.151356D+02
      4  -0.944957D+00 -0.188937D+02  0.255117D+02  0.268432D+02  0.222390D+02
      5  -0.241667D+02  0.221990D+02  0.328661D+02  0.217742D+02 -0.239426D+01
      6   0.107032D+02 -0.596781D+01 -0.104116D+02  0.938497D+00 -0.271734D+01
                66            67            68            69            70 
      1   0.215874D+02  0.604840D+02  0.235323D+02 -0.687127D+01  0.324559D+02
      2  -0.123565D+02 -0.280948D+02 -0.111328D+02  0.742848D+01 -0.134126D+02
      3  -0.923089D+01 -0.323893D+02 -0.123996D+02 -0.557212D+00 -0.190433D+02
      4  -0.142308D+01  0.303711D+02  0.100042D+02  0.214081D+02  0.318409D+01
      5   0.682868D+01 -0.111337D+01  0.228470D+02 -0.212068D+02  0.105225D+01
      6   0.167483D+01  0.139441D+01  0.598555D+01 -0.445900D+01 -0.273557D+01
                71            72            73            74            75 
      1  -0.310435D+01  0.404697D+01  0.369535D+02 -0.215457D+02 -0.172030D+02
      2   0.707416D+01 -0.191085D+01 -0.197614D+02  0.437754D+01  0.986606D+01
      3  -0.396981D+01 -0.213612D+01 -0.171921D+02  0.171682D+02  0.733696D+01
      4   0.208613D+02 -0.169380D+02 -0.198628D+02 -0.304075D+02 -0.514151D+01
      5  -0.174660D+02 -0.294494D+02 -0.940745D+01 -0.730610D+01 -0.170535D+02
      6  -0.536912D+01 -0.470971D+01 -0.139058D+02 -0.882315D+01 -0.527216D+00
                76            77            78            79            80 
      1  -0.282621D+02 -0.253056D+02 -0.143661D+01 -0.205623D+02  0.966652D+00
      2   0.578501D+01  0.164485D+02 -0.120358D+02  0.103596D+02 -0.117728D+02
      3   0.224771D+02  0.885717D+01  0.134724D+02  0.102027D+02  0.108061D+02
      4  -0.387740D+02 -0.132050D+02 -0.340365D+02 -0.173235D+01 -0.249985D+02
      5  -0.774800D+01 -0.404262D+02  0.221692D+02 -0.978983D+01  0.200626D+02
      6  -0.138030D+02 -0.591203D+01 -0.944617D+01  0.189351D+01 -0.749758D+01
                81            82            83            84            85 
      1  -0.105540D+02  0.356519D+02 -0.202161D+02 -0.112800D+02 -0.303002D+02
      2   0.773147D+00 -0.343176D+02 -0.429729D+00  0.521424D+01  0.154194D+01
      3   0.978081D+01 -0.133434D+01  0.206458D+02  0.606571D+01  0.287583D+02
      4   0.174655D+02 -0.168645D+02 -0.368703D+02 -0.307150D+00 -0.394662D+02
      5   0.127194D+02 -0.137864D+02  0.572775D+01 -0.546703D+01  0.378966D+01
      6   0.132843D+02  0.127059D+01  0.435007D+01 -0.311080D+01  0.315570D+01
                86            87            88            89            90 
      1  -0.264800D+02  0.844540D+01 -0.124167D+02  0.281188D+01 -0.479700D+00
      2   0.189672D+00 -0.542959D+01  0.671838D+00 -0.645930D+01  0.230015D+02
      3   0.262903D+02 -0.301581D+01  0.117449D+02  0.364742D+01 -0.225218D+02
      4  -0.314161D+02 -0.139721D+02 -0.984088D+01 -0.209354D+02  0.116919D+02
      5  -0.117890D+02  0.209231D+02 -0.387242D+01  0.149750D+02  0.447132D+02
      6  -0.589058D+01  0.107221D+02 -0.120262D+01  0.102740D+02  0.905248D+01
                91            92            93            94            95 
      1   0.582800D+01 -0.412757D+01 -0.684375D+01 -0.515765D+01 -0.157777D+02
      2  -0.501486D+01 -0.678221D+00  0.151366D+01  0.589965D+01  0.817614D+01
      3  -0.813137D+00  0.480579D+01  0.533009D+01 -0.741997D+00  0.760153D+01
      4  -0.160638D+02 -0.131813D+02 -0.430930D+01 -0.338149D+02  0.153169D+02
      5  -0.166243D+02 -0.262976D+01 -0.972696D+01 -0.103386D+02 -0.531016D+01
      6  -0.137279D+00 -0.524575D+01 -0.623737D+01 -0.138204D+01  0.188860D+01
                96            97            98            99           100 
      1  -0.699853D+01 -0.167215D+02 -0.815385D+01 -0.427924D+01  0.626007D+01
      2   0.285687D+01  0.298347D+01 -0.359417D+00  0.618458D+01 -0.235601D+01
      3   0.414166D+01  0.137381D+02  0.851326D+01 -0.190534D+01 -0.390407D+01
      4  -0.524318D+01 -0.181586D+02 -0.593536D+01 -0.206206D+02  0.969804D+01
      5  -0.180781D+02 -0.187227D+02 -0.194277D+02  0.213218D+02  0.116038D+02
      6  -0.273951D+01 -0.901975D+01 -0.468284D+01  0.760405D+01 -0.583249D+01
               101           102           103           104           105 
      1   0.285158D+01  0.466717D+01  0.145339D+02  0.563745D+01  0.186839D+01
      2  -0.505450D+00 -0.316027D+01 -0.125709D+02 -0.126145D+01  0.374839D+01
      3  -0.234613D+01 -0.150691D+01 -0.196306D+01 -0.437600D+01 -0.561679D+01
      4   0.202221D+00 -0.378580D+01 -0.329776D+01 -0.703678D+01  0.948097D+01
      5  -0.499584D+01 -0.381685D+01 -0.116382D+02  0.116074D+02  0.335131D+02
      6   0.359802D+01  0.699629D+01  0.540628D+01 -0.109296D+02 -0.195536D+02
               106           107           108           109           110 
      1   0.140872D+02  0.334741D+00  0.966539D+00  0.180912D+02 -0.134767D+02
      2  -0.971252D+00 -0.901499D+01  0.264611D+01 -0.107256D+02  0.607082D+01
      3  -0.131159D+02  0.868025D+01 -0.361265D+01 -0.736559D+01  0.740583D+01
      4  -0.120566D+02  0.253100D+02  0.238147D+02 -0.187390D+02  0.171551D+02
      5  -0.208809D+02  0.247383D+02  0.175233D+02 -0.272750D+02  0.890532D+01
      6   0.129394D+02 -0.227156D+02 -0.128624D+02  0.112707D+02 -0.275842D+01
               111           112           113           114           115 
      1  -0.208068D+02 -0.139858D+02 -0.809776D+01 -0.686046D+01 -0.261103D+02
      2   0.134492D+02  0.385615D+01  0.175595D+02  0.426353D+01  0.152357D+02
      3   0.735768D+01  0.101296D+02 -0.946173D+01  0.259693D+01  0.108746D+02
      4   0.117771D+02  0.277280D+02 -0.344533D+02 -0.234290D+02  0.242427D+02
      5   0.206948D+02  0.177660D+02 -0.257101D+02 -0.289792D+02  0.357101D+02
      6  -0.493755D+01 -0.802341D+01  0.243233D+02  0.268420D+02 -0.139912D+02
               116           117           118           119           120 
      1  -0.548818D+01 -0.654199D+01  0.727377D+01 -0.331088D+01  0.115024D+02
      2   0.752033D+01 -0.140949D+02 -0.706201D+01  0.778077D+01 -0.766983D+01
      3  -0.203215D+01  0.206368D+02 -0.211764D+00 -0.446988D+01 -0.383260D+01
      4  -0.328592D+02 -0.256227D+02  0.148164D+01 -0.666261D+01 -0.342333D+01
      5  -0.286551D+02 -0.649238D+02  0.101939D+02  0.963383D+00  0.768136D+01
      6   0.278838D+02  0.364547D+02 -0.367733D+01 -0.173266D+01 -0.156403D+01
               121           122           123           124           125 
      1   0.560916D+00 -0.367117D+01  0.303877D+01  0.171031D+02  0.148329D+01
      2   0.961249D+01 -0.171492D+02 -0.355430D+00 -0.930150D+01 -0.269079D+01
      3  -0.101734D+02  0.208204D+02 -0.268334D+01 -0.780158D+01  0.120749D+01
      4  -0.166295D+02  0.442390D+02  0.600787D+00 -0.948239D+01  0.106912D+02
      5   0.113516D+01  0.185267D+00 -0.227578D+01  0.165631D+02 -0.102523D+02
      6  -0.395084D+01  0.341276D+01  0.722816D+01 -0.431899D+01  0.134516D+02
               126           127           128           129           130 
      1  -0.198805D+01  0.266279D+01  0.242419D+01 -0.128971D+01 -0.334448D+00
      2  -0.703428D+01 -0.250836D+01 -0.278069D+01 -0.179580D+01  0.910927D+00
      3   0.902233D+01 -0.154431D+00  0.356494D+00  0.308551D+01 -0.576479D+00
      4  -0.961012D+01 -0.984153D+01  0.745028D+01 -0.783532D+01  0.510549D+01
      5   0.294760D+02  0.151697D+02 -0.541977D+01  0.137299D+02 -0.745035D+01
      6  -0.169360D+02 -0.831176D+01  0.581313D+01 -0.843869D+01  0.524381D+01
               131           132           133           134           135 
      1  -0.362172D+01  0.461083D+01 -0.359569D+01  0.788193D+01 -0.140177D+02
      2   0.201491D+01 -0.113462D+00 -0.198419D+01 -0.437925D+01 -0.208101D+01
      3   0.160681D+01 -0.449737D+01  0.557988D+01 -0.350268D+01  0.160988D+02
      4  -0.545826D+01  0.552983D+01 -0.832126D+01  0.750104D+01 -0.103321D+02
      5   0.486980D+01 -0.813342D+01  0.149492D+02 -0.751041D+01  0.201245D+02
      6  -0.613356D+01  0.845558D+01 -0.102090D+02  0.119334D+02 -0.185065D+02
               136           137           138           139           140 
      1  -0.278419D+01 -0.178669D+01  0.552516D+01 -0.214482D+01 -0.423135D+01
      2  -0.252488D+01  0.496147D+00  0.273744D+01 -0.479974D+00  0.108197D+01
      3   0.530907D+01  0.129054D+01 -0.826261D+01  0.262479D+01  0.314939D+01
      4   0.526360D+01  0.354323D+01 -0.529143D+01  0.218598D+01  0.168606D+01
      5  -0.852110D+01 -0.324560D+01  0.110678D+02 -0.292707D+01 -0.232402D+01
      6  -0.579242D+01 -0.353946D+01  0.633319D+01 -0.273057D+01 -0.502165D+01
               141           142           143           144           145 
      1   0.770042D+01  0.698222D+01  0.103021D+02 -0.277767D+02  0.489941D+01
      2   0.407015D+00  0.200670D+01 -0.314641D+01 -0.538819D+01 -0.527256D+01
      3  -0.810744D+01 -0.898892D+01 -0.715573D+01  0.331648D+02  0.373147D+00
      4  -0.259151D+01 -0.563185D+01 -0.498310D+01  0.770201D+01 -0.406535D+01
      5   0.335200D+01  0.102261D+02  0.470100D+01 -0.158576D+02  0.115244D+02
      6   0.823471D+01  0.824284D+01  0.124883D+02 -0.231088D+02 -0.100920D+01
               146           147           148           149           150 
      1  -0.109000D+01 -0.156646D+01 -0.121206D+01 -0.919523D-01  0.513960D+01
      2   0.637240D+00 -0.470829D+01  0.185045D+01 -0.393421D+00  0.278957D+01
      3   0.452759D+00  0.627476D+01 -0.638390D+00  0.485373D+00 -0.792918D+01
      4   0.558137D+01 -0.468073D+00  0.491898D+01 -0.465548D+01  0.622242D+00
      5  -0.271865D+01  0.999611D+01 -0.442745D+01  0.296888D+01 -0.619003D+01
      6   0.229777D+01 -0.659434D+00  0.104293D+01 -0.302103D+01  0.174530D+01
               151           152           153           154           155 
      1  -0.359173D+01  0.443589D+01 -0.127834D+02  0.108229D+00  0.738528D+00
      2  -0.627025D+01  0.149138D+01 -0.942630D+01 -0.548438D+01 -0.146128D+01
      3   0.986198D+01 -0.592726D+01  0.222097D+02  0.537615D+01  0.722756D+00
      4   0.249365D+00  0.183526D+01 -0.180937D+01  0.124925D+01  0.253187D+01
      5   0.126262D+02 -0.401718D+01  0.157500D+02 -0.949156D+01 -0.212345D+01
      6  -0.123333D+01  0.455970D+01 -0.290662D+01  0.790862D+00 -0.160233D+01
               156           157           158           159           160 
      1   0.273088D+01 -0.175644D+01 -0.242280D+01  0.646107D+01  0.321685D+01
      2   0.571380D+01 -0.636947D+00 -0.665846D+00  0.294143D+01  0.728962D+01
      3  -0.844468D+01  0.239339D+01  0.308865D+01 -0.940250D+01 -0.105065D+02
      4  -0.348603D+00  0.155015D+01  0.108277D+01 -0.123219D+01 -0.175103D+01
      5   0.119132D+02 -0.215820D+01 -0.242781D+01  0.360185D+01  0.126557D+02
      6  -0.152506D+01 -0.953593D+00 -0.242999D+01  0.147523D+01  0.159385D+00
               161           162           163           164           165 
      1   0.310811D+01 -0.217902D+02  0.896566D+01 -0.250183D+01 -0.829394D+01
      2   0.229168D+01 -0.158880D+02 -0.725716D+01  0.718334D+00  0.595626D+01
      3  -0.539979D+01  0.376782D+02 -0.170850D+01  0.178350D+01  0.233768D+01
      4  -0.333321D+01  0.188098D+01 -0.618853D+01  0.989672D+01  0.640759D+01
      5   0.385112D+01 -0.203673D+02 -0.150415D+02  0.461873D+01  0.150983D+02
      6   0.510475D+01  0.255997D+00  0.447870D+01 -0.188425D+01 -0.327992D+01
               166           167           168           169           170 
      1   0.359909D+01  0.123153D+01 -0.235747D+01 -0.160782D+02 -0.401391D+01
      2  -0.289135D+01  0.698471D+00  0.114425D+01  0.132303D+02  0.937168D+00
      3  -0.707742D+00 -0.193000D+01  0.121322D+01  0.284782D+01  0.307674D+01
      4   0.117740D+02 -0.985252D+01 -0.912056D+01  0.127001D+02 -0.150394D+02
      5   0.488142D+01 -0.905992D+01 -0.983545D+01  0.267888D+02 -0.182447D+02
      6  -0.330643D+01  0.618749D+01  0.901836D+01 -0.908276D+01  0.117094D+02
               171           172           173           174           175 
      1  -0.303573D+01  0.189880D+02 -0.939737D+01  0.629136D+01 -0.108456D+02
      2  -0.108801D+02 -0.388128D+01 -0.473446D+00 -0.169006D+01 -0.324466D+01
      3   0.139158D+02 -0.151067D+02  0.987082D+01 -0.460130D+01  0.140903D+02
      4  -0.214422D+02 -0.211082D+02  0.237664D+02 -0.557093D+01  0.310726D+02
      5  -0.469131D+02  0.904292D+01 -0.357699D+01  0.760718D+01 -0.509412D+01
      6   0.184571D+02 -0.302171D+01  0.704654D+00 -0.188410D+01  0.227977D+01
               176           177           178           179           180 
      1   0.374684D+01 -0.520115D+00  0.178333D+02 -0.325285D+00  0.247446D+01
      2   0.163269D+02 -0.413331D+01 -0.481628D+01 -0.685447D+01  0.189497D+00
      3  -0.200738D+02  0.465342D+01 -0.130170D+02  0.717975D+01 -0.266396D+01
      4  -0.435387D+02  0.118586D+02 -0.146812D+02  0.225239D+02 -0.136405D+02
      5   0.108160D+02 -0.902065D+01  0.105374D+02 -0.119529D+02  0.824081D+01
      6  -0.465663D+01  0.557519D+01 -0.440263D+01  0.628109D+01 -0.432134D+01
               181           182           183           184           185 
      1   0.137872D+03 -0.166670D+02 -0.155410D+02 -0.255234D+02  0.134108D+02
      2  -0.700217D+02  0.868872D+01  0.771322D+01  0.127034D+02 -0.512790D+01
      3  -0.678501D+02  0.797831D+01  0.782776D+01  0.128200D+02 -0.828289D+01
      4  -0.126235D+02  0.138115D+02  0.149990D+01  0.161805D+02 -0.867283D+01
      5  -0.179533D+02  0.212410D+01  0.164616D+02  0.201272D+01 -0.580678D+01
      6   0.633842D+00 -0.107090D+01  0.131072D+01 -0.123113D+01 -0.106886D+00
               186           187           188           189           190 
      1   0.264960D+01 -0.185699D+02  0.186328D+01  0.158407D+02 -0.470497D+02
      2  -0.194151D+01  0.103559D+02 -0.181617D+01 -0.966547D+01  0.231887D+02
      3  -0.708096D+00  0.821398D+01 -0.471089D-01 -0.617524D+01  0.238610D+02
      4  -0.535958D+01  0.318463D+00 -0.521349D+01 -0.103552D+00 -0.596033D+01
      5  -0.556759D+00  0.218426D+02 -0.379131D+00 -0.435263D+01 -0.114324D+02
      6   0.227813D+01  0.256097D+00  0.243082D+01  0.688808D+00  0.510291D+01
               191           192           193           194           195 
      1   0.847850D+01  0.127256D+02  0.558388D+01 -0.867956D+01 -0.580655D+01
      2  -0.510067D+01 -0.162806D+01 -0.289216D+01  0.527402D+01  0.358332D+01
      3  -0.337783D+01 -0.110975D+02 -0.269172D+01  0.340554D+01  0.222324D+01
      4  -0.375651D+01 -0.169645D+01  0.380380D+00  0.260775D+01  0.472874D+01
      5  -0.181126D+01 -0.793763D+01 -0.390475D+00  0.368423D+01  0.157064D+00
      6  -0.564385D+01 -0.661976D+01 -0.270959D+01  0.374822D+01  0.470585D+01
               196           197           198           199           200 
      1   0.823629D+01 -0.372277D+01 -0.965713D+01  0.313098D+02  0.194388D+02
      2  -0.139476D+01  0.191244D+01  0.112994D+01 -0.133823D+02 -0.473378D+01
      3  -0.684153D+01  0.181034D+01  0.852720D+01 -0.179275D+02 -0.147050D+02
      4  -0.259680D+00  0.313577D+01 -0.148724D+01  0.317487D+02  0.303284D+02
      5   0.645692D+00 -0.144884D+01  0.253411D+01  0.250006D+02  0.158963D+02
      6  -0.361380D+01  0.388314D+01  0.198122D+01  0.116818D+02  0.110579D+02
               201           202           203           204           205 
      1   0.119560D+02  0.244608D+02  0.143597D+02  0.547675D+01  0.697704D+01
      2  -0.858903D+01 -0.631744D+01  0.323997D+01 -0.291203D+01 -0.581341D+01
      3  -0.336694D+01 -0.181433D+02 -0.175997D+02 -0.256472D+01 -0.116364D+01
      4   0.126791D+02  0.381151D+02  0.470225D+02  0.221989D+02  0.931341D+01
      5   0.207481D+02  0.230829D+02  0.260434D+02  0.206950D+02  0.168594D+02
      6   0.767087D+01  0.144261D+02  0.200972D+02  0.143099D+02  0.675895D+01
               206           207           208           209           210 
      1   0.193205D+01  0.621085D+01  0.985625D+01 -0.611548D+01  0.113420D+02
      2  -0.163357D+01 -0.514680D+01 -0.856510D+01  0.555162D+01 -0.104537D+02
      3  -0.298484D+00 -0.106405D+01 -0.129115D+01  0.563854D+00 -0.888295D+00
      4   0.118551D+02  0.111803D+02 -0.666694D+01  0.120807D+02 -0.535763D+01
      5   0.116367D+02  0.135170D+02  0.161077D+02 -0.768930D+01  0.178411D+02
      6   0.986369D+01  0.702039D+01 -0.146344D+01  0.419134D+01 -0.163435D+01
               211           212           213           214           215 
      1  -0.118740D+02  0.608752D+01 -0.341739D+01  0.105659D+02 -0.130018D+01
      2   0.106847D+02 -0.848647D+01  0.142711D+02 -0.112024D+02  0.947948D+01
      3   0.118923D+01  0.239896D+01 -0.108537D+02  0.636534D+00 -0.817931D+01
      4   0.126247D+02 -0.259061D+02  0.203313D+02 -0.536137D+01  0.159221D+02
      5  -0.156576D+02  0.231420D+02 -0.320437D+02  0.187583D+02 -0.186084D+02
      6   0.485678D+01 -0.119367D+02  0.886666D+01 -0.218100D+01  0.911791D+01
               216           217           218           219           220 
      1   0.230993D+01  0.122453D+01  0.182192D+01 -0.802896D+01 -0.149346D+01
      2  -0.182732D+02 -0.278671D+01  0.554700D+00  0.670524D+01  0.273764D+01
      3   0.159632D+02  0.156217D+01 -0.237662D+01  0.132372D+01 -0.124419D+01
      4  -0.168229D+02  0.282538D+01  0.637414D+01 -0.260737D+01  0.406108D+01
      5   0.349552D+02 -0.103154D+02 -0.107596D+01  0.136202D+02  0.160622D+01
      6  -0.727096D+01 -0.248370D+01 -0.140596D+01  0.198723D+01 -0.783204D+00
               221           222           223           224           225 
      1   0.751473D+00 -0.100474D+00 -0.912883D+01  0.176913D+01 -0.112538D+02
      2  -0.191837D+01 -0.505900D+01  0.894818D+01 -0.413784D+01 -0.246751D+02
      3   0.116690D+01  0.515947D+01  0.180652D+00  0.236871D+01  0.359289D+02
      4  -0.643137D+00 -0.454783D+01 -0.510178D+01 -0.908480D+01  0.308822D+01
      5  -0.541613D+01 -0.105516D+02  0.170855D+02  0.226304D+01 -0.657557D+02
      6   0.352641D+00  0.273179D+01  0.425026D+01  0.736411D+01 -0.225563D+02
               226           227           228           229           230 
      1   0.246335D+02  0.180110D+02  0.174782D+01  0.184483D+02  0.982843D+01
      2  -0.265281D+00  0.568534D+01  0.186636D+00  0.710819D+01  0.261128D+02
      3  -0.243682D+02 -0.236963D+02 -0.193445D+01 -0.255565D+02 -0.359412D+02
      4   0.371010D+02  0.412707D+02 -0.155872D+01  0.443513D+02  0.650190D+02
      5  -0.363554D+01 -0.524729D+01  0.941155D+01 -0.549856D+01 -0.468216D+01
      6  -0.309271D+01 -0.475637D+01  0.534097D+01 -0.473529D+01 -0.818056D+01
               231           232           233           234           235 
      1  -0.251638D+00  0.654696D+01  0.161919D+01  0.333736D+01 -0.388105D+02
      2   0.101463D+01  0.264088D+00  0.500763D+01 -0.126803D+01  0.268161D+02
      3  -0.762990D+00 -0.681105D+01 -0.662682D+01 -0.206934D+01  0.119944D+02
      4  -0.146570D+01  0.772459D+01  0.124695D+02  0.681763D+01 -0.959301D+01
      5   0.721920D+01  0.683980D+01  0.534549D+01 -0.103921D+01  0.100138D+02
      6   0.630659D+01  0.393821D+01  0.429143D+01  0.515954D+00 -0.609047D+00
               236           237           238           239           240 
      1   0.156819D+02  0.295993D+00  0.153052D+02 -0.712314D+01 -0.409626D+00
      2  -0.144814D+02 -0.126313D+01 -0.951763D+01  0.111595D+02  0.459606D+00
      3  -0.120048D+01  0.967133D+00 -0.578757D+01 -0.403635D+01 -0.499801D-01
      4  -0.241974D+01  0.269150D+01  0.855448D+01  0.798011D+01 -0.268138D+00
      5  -0.198403D+00 -0.569905D+01 -0.374167D+01  0.101063D+01  0.134897D-01
      6   0.321610D+01 -0.474425D+01  0.221201D+00 -0.217194D+01  0.125009D+01
               241           242           243           244           245 
      1   0.443515D+01 -0.284463D+01 -0.531037D+01  0.213591D+01  0.376325D+01
      2  -0.296107D+01  0.354072D+01  0.278532D+00 -0.358557D+01 -0.193062D+01
      3  -0.147409D+01 -0.696095D+00  0.503184D+01  0.144966D+01 -0.183262D+01
      4   0.930198D+00  0.334177D+01 -0.157740D+01  0.623472D+01  0.643132D+01
      5  -0.126291D+01 -0.222019D+00 -0.257878D+01 -0.102787D+02 -0.240701D+01
      6  -0.241030D+01  0.123826D+01 -0.323337D+00 -0.419208D+01 -0.576707D+00
               246           247           248           249           250 
      1  -0.572431D+01  0.442306D+01 -0.105831D+00  0.201494D+01 -0.800400D+01
      2   0.426240D+01 -0.193223D+01  0.955202D+00 -0.127323D+01  0.738592D+01
      3   0.146191D+01 -0.249083D+01 -0.849371D+00 -0.741715D+00  0.618085D+00
      4  -0.330078D+01  0.977259D+01  0.627132D+01 -0.723513D+01 -0.590518D+01
      5   0.112743D+02 -0.340802D+01 -0.742160D+01  0.100297D+02  0.155747D+02
      6   0.242498D+01 -0.203664D+01 -0.575698D+01  0.756709D+01  0.399306D+01
               251           252           253           254           255 
      1   0.214520D+01 -0.445406D+01 -0.771624D+02 -0.355608D+01  0.792809D+01
      2   0.644798D+00 -0.926284D+01  0.391317D+02  0.898170D+01 -0.555276D+01
      3  -0.279000D+01  0.137169D+02  0.380306D+02 -0.542562D+01 -0.237533D+01
      4  -0.104435D+02  0.102711D+02 -0.758609D+01  0.231855D+02  0.995577D+01
      5   0.899565D+01 -0.340119D+02  0.115578D+02  0.721964D+01  0.132064D+02
      6   0.742220D+01 -0.123873D+02  0.839513D+01  0.542289D+01  0.474549D+01
               256           257           258           259           260 
      1   0.151327D+02  0.323153D+02  0.262774D+01  0.276209D+02  0.346142D+01
      2  -0.448734D+01 -0.363383D+02 -0.644315D+01 -0.119703D+02 -0.302355D+01
      3  -0.106454D+02  0.402297D+01  0.381541D+01 -0.156506D+02 -0.437877D+00
      4   0.254659D+02 -0.267799D+02  0.490456D+01  0.196384D+02  0.138700D+02
      5   0.114046D+02  0.746461D+01  0.167949D+02  0.191088D+02  0.185152D+02
      6   0.577399D+01 -0.389464D+01  0.553275D+01  0.805309D+01  0.762619D+01
               261           262           263           264           265 
      1   0.146285D+02  0.646971D+01 -0.795122D+01  0.241033D+01 -0.678853D+01
      2   0.563829D+01  0.177230D+01 -0.103976D+01 -0.815590D-01 -0.792509D+01
      3  -0.202668D+02 -0.824201D+01  0.899098D+01 -0.232877D+01  0.147136D+02
      4   0.216409D+02 -0.136036D+02  0.168573D+02 -0.381701D+01  0.274522D+02
      5  -0.184374D+02  0.484430D+01 -0.405922D+01  0.345779D+01 -0.740844D+01
      6  -0.301105D+01 -0.308890D+01  0.291908D+01 -0.144278D+01  0.578917D+01
               266           267           268           269           270 
      1  -0.527879D+01  0.616803D+00  0.410883D+00  0.962022D+00 -0.706325D+00
      2   0.333509D+02 -0.557164D+01 -0.197795D+01  0.343645D+01  0.145656D+01
      3  -0.280721D+02  0.495484D+01  0.156706D+01 -0.439847D+01 -0.750232D+00
      4  -0.593566D+02  0.124906D+02  0.176870D+01 -0.368017D+01 -0.401380D+01
      5   0.134737D+02 -0.106599D+02  0.289985D+01 -0.409875D+01  0.462569D+01
      6  -0.140764D+02  0.785912D+01 -0.169106D+01  0.445176D+01 -0.301507D+01
               271           272           273           274           275 
      1   0.439316D+01 -0.689296D+00  0.523157D+01 -0.740637D+01 -0.560276D+01
      2  -0.500677D+01 -0.715961D+00 -0.188417D+01  0.377256D+01  0.268641D+01
      3   0.613610D+00  0.140526D+01 -0.334740D+01  0.363381D+01  0.291635D+01
      4  -0.209827D+01 -0.350430D+01 -0.390155D+00 -0.326222D+01 -0.215555D+01
      5   0.255414D+01 -0.172599D+01 -0.142630D+00 -0.461336D+01  0.338077D+01
      6  -0.638700D+00 -0.163564D+01 -0.121573D+01 -0.938614D+00 -0.319761D+00
               276           277           278           279           280 
      1  -0.433517D+00  0.109007D+02 -0.875024D-01 -0.112399D+02  0.124700D+03
      2   0.479443D+01 -0.722101D+01  0.420399D+01 -0.153619D+02 -0.595885D+02
      3  -0.436091D+01 -0.367967D+01 -0.411648D+01  0.266018D+02 -0.651120D+02
      4   0.364722D+01  0.470735D+01  0.913115D+01 -0.308353D+01  0.382870D+02
      5  -0.927234D+01  0.105304D+02 -0.224053D+01  0.425673D+02  0.944339D+01
      6   0.962644D+00  0.175266D+01  0.396462D+01  0.121528D+02 -0.626025D+00
               281           282           283           284           285 
      1   0.842055D+01 -0.139551D+01 -0.697768D+01  0.694965D+01 -0.179691D+00
      2  -0.688632D+00 -0.216129D+00  0.607657D+01 -0.457534D+00  0.545117D+00
      3  -0.773192D+01  0.161164D+01  0.901109D+00 -0.649212D+01 -0.365426D+00
      4   0.171332D+02  0.919162D+00  0.117643D+02  0.522415D+01 -0.117808D+01
      5   0.149125D+01  0.129523D+02 -0.135151D+01 -0.806910D+00 -0.244451D+01
      6   0.169326D+01  0.348361D+01  0.484721D+00  0.370340D+00  0.106503D+00
               286           287           288           289           290 
      1  -0.162393D+02 -0.154021D+01  0.866617D+01  0.136508D+01  0.121465D+02
      2   0.664295D+01 -0.119929D+00 -0.640918D+01  0.230386D+01 -0.121721D+02
      3   0.959632D+01  0.166014D+01 -0.225699D+01 -0.366894D+01  0.255268D-01
      4  -0.675937D+01 -0.460306D+01  0.988101D+00  0.379057D+01 -0.530733D+01
      5   0.116572D+02 -0.788495D+00 -0.848535D+00 -0.176213D+01 -0.496489D+00
      6   0.292930D+01  0.481113D+00 -0.608569D+00 -0.139467D+00 -0.244302D+01
               291           292           293           294           295 
      1   0.272014D-01  0.110660D+02 -0.296474D+02 -0.266054D+01 -0.411330D+01
      2  -0.882628D-01 -0.337892D+01  0.512860D+02  0.276937D+01  0.116840D+01
      3   0.610614D-01 -0.768713D+01 -0.216386D+02 -0.108828D+00  0.294489D+01
      4  -0.198220D+01  0.120897D+02  0.580565D+02  0.586047D+01 -0.327237D+01
      5  -0.254013D+01  0.296914D+01  0.347908D+01  0.713970D+01 -0.274077D+00
      6  -0.220785D+01  0.784927D+00  0.112215D+02  0.760276D+01 -0.309650D+00
               296           297 
      1  -0.102928D+01 -0.548012D+01
      2  -0.150244D+01  0.396127D+01
      3   0.253172D+01  0.151885D+01
      4  -0.391763D+01  0.347381D+01
      5   0.434191D+01  0.203912D+01
      6   0.641284D+01  0.111752D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165230D+03      0.244846D+02      0.272428D+02
   aniso      0.655880D+02      0.971914D+01      0.108140D+02
   xx         0.206868D+03      0.306546D+02      0.341079D+02
   yx        -0.138739D+01     -0.205590D+00     -0.228750D+00
   yy         0.135048D+03      0.200121D+02      0.222664D+02
   zx        -0.817213D+00     -0.121098D+00     -0.134740D+00
   zy        -0.658905D+01     -0.976396D+00     -0.108639D+01
   zz         0.153776D+03      0.227872D+02      0.253542D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165230D+03      0.244846D+02      0.272428D+02
   aniso      0.655880D+02      0.971914D+01      0.108140D+02
   xx         0.194144D+03      0.287691D+02      0.320100D+02
   yx         0.579111D+00      0.858154D-01      0.954825D-01
   yy         0.142786D+03      0.211588D+02      0.235423D+02
   zx         0.242657D+02      0.359581D+01      0.400087D+01
   zy        -0.124092D+02     -0.183886D+01     -0.204600D+01
   zz         0.158761D+03      0.235260D+02      0.261762D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-37\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.999465,-1
 .196404,0.969136\C,1.596854,-0.854615,-0.242805\C,-0.373383,-1.089601,
 1.14899\C,-1.197567,-0.646006,0.11854\C,-0.60754,-0.309456,-1.099214\C
 ,0.764497,-0.415297,-1.273478\C,3.089352,-0.933039,-0.42674\C,3.863458
 ,0.355956,-0.060011\C,3.724742,0.714773,1.418841\C,3.474654,1.53835,-0
 .94648\C,-2.69829,-0.54755,0.336035\C,-3.112492,0.912406,0.380989\O,-3
 .301927,1.54513,1.386242\O,-3.236904,1.461286,-0.851756\H,1.615792,-1.
 553364,1.784982\H,-0.810943,-1.358118,2.102796\H,-1.221792,0.044896,-1
 .915977\H,1.198598,-0.153574,-2.230639\H,3.31006,-1.178961,-1.468652\H
 ,3.483227,-1.75192,0.18068\H,4.918355,0.129746,-0.250425\H,2.693477,0.
 97286,1.666766\H,4.350853,1.574253,1.666193\H,4.026509,-0.115358,2.061
 505\H,3.596304,1.300958,-2.005766\H,4.098076,2.406584,-0.724159\H,2.43
 4212,1.826365,-0.784696\H,-2.911214,-0.920205,1.337383\C,-3.505151,-1.
 357997,-0.684885\H,-3.465219,2.394674,-0.720115\H,-3.324283,-1.011646,
 -1.700587\H,-4.575148,-1.279853,-0.485627\H,-3.217816,-2.407791,-0.623
 061\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.021968\RMSD=3.873e-09\
 RMSF=1.294e-05\ZeroPoint=0.2846317\Thermal=0.3001377\Dipole=0.3395778,
 -0.2872728,-0.6137765\DipoleDeriv=-0.1169159,-0.0401297,0.0652972,-0.0
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 TO ERR IS HUMAN - AND TO BLAME IT ON A COMPUTER IS EVEN MORE SO.
 Job cpu time:       0 days 15 hours 26 minutes 50.0 seconds.
 Elapsed time:       0 days  1 hours 55 minutes 54.1 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:25:36 2021.
